data_2n8w_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 2n8w _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 24' ' ' MET . . . . . . . . . . . . . 23.1 mtm . . . . . 0 N--CA 1.473 0.724 0 N-CA-C 109.697 -0.483 . . . . 71.31 109.697 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.65 -60.04 4.78 Favored Glycine 0 C--N 1.345 1.057 0 N-CA-C 110.722 -0.951 . . . . 64.02 110.722 -168.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.2 ttt85 -62.41 -24.5 67.44 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.89 1.276 . . . . 74.34 111.664 178.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.43 -44.53 71.15 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-O 119.212 -0.423 . . . . 74.0 110.577 174.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.6 mt -64.75 -36.15 83.39 Favored 'General case' 0 N--CA 1.488 1.469 0 CA-C-N 117.707 0.23 . . . . 74.1 110.679 173.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.441 ' CZ ' ' HG2' ' A' ' 66' ' ' ARG . 85.7 t80 -60.59 -44.09 96.62 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 123.688 0.618 . . . . 72.13 109.951 176.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -69.95 -38.35 76.13 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.096 0.558 . . . . 71.11 110.503 -177.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 83.4 mt -61.57 -41.25 89.47 Favored 'Isoleucine or valine' 0 C--N 1.358 0.968 0 C-N-CA 123.448 0.699 . . . . 71.23 109.623 173.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.98 -44.23 97.4 Favored Glycine 0 C--N 1.351 1.384 0 CA-C-N 114.979 -1.009 . . . . 74.43 112.174 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.449 ' O ' ' HG3' ' A' ' 37' ' ' LYS . 89.9 mt -54.83 -49.78 70.22 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.162 0.585 . . . . 72.43 110.002 175.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -61.84 -39.68 92.68 Favored 'General case' 0 CA--C 1.546 0.818 0 O-C-N 124.116 0.885 . . . . 73.33 112.208 -178.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -60.64 -43.64 97.34 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 122.789 0.436 . . . . 75.12 110.223 179.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -69.55 -34.51 74.31 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.849 0.86 . . . . 74.33 110.603 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' A' ' 33' ' ' LEU . 29.9 mtpp -66.1 -28.77 69.07 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 123.603 0.761 . . . . 74.51 111.204 177.054 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 68.5 mtm -92.05 1.83 56.95 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.421 0.688 . . . . 75.15 111.605 177.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 101.95 -27.33 20.88 Favored Glycine 0 C--N 1.35 1.318 0 N-CA-C 113.753 0.261 . . . . 74.22 113.753 174.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.582 ' HB2' ' HZ3' ' A' ' 40' ' ' LYS . 10.2 mtmp? -83.78 76.11 10.03 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-O 121.423 0.63 . . . . 75.23 110.265 -176.603 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.76 -2.52 39.88 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.298 -0.865 . . . . 62.13 112.738 -175.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.434 ' O ' ' HG2' ' A' ' 46' ' ' GLU . 4.9 tpt180 -69.51 -55.5 10.04 Favored 'General case' 0 C--N 1.359 0.984 0 N-CA-C 109.937 -0.394 . . . . 74.21 109.937 175.522 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -62.73 -33.63 75.53 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 123.6 0.563 . . . . 75.43 110.184 177.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.56 -54.09 42.32 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 124.197 0.936 . . . . 75.54 111.225 173.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.61 -40.95 96.65 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.309 1.006 . . . . 75.31 111.412 -178.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' A' ' 42' ' ' ARG . 23.1 mm-40 -58.77 -46.56 87.24 Favored 'General case' 0 N--CA 1.479 1.012 0 O-C-N 123.907 0.755 . . . . 74.0 110.697 178.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -70.87 -32.5 69.51 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.622 -0.717 . . . . 71.41 112.054 -177.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -66.77 -33.19 75.08 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 123.623 0.577 . . . . 74.4 110.414 175.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -73.6 -50.69 19.87 Favored 'General case' 0 C--N 1.349 0.56 0 C-N-CA 123.23 0.612 . . . . 72.12 111.002 178.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.4 ' O ' HG21 ' A' ' 54' ' ' VAL . 58.7 mtp180 -64.57 -34.44 78.26 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.296 0.638 . . . . 74.53 110.287 -179.117 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.34 -46.4 83.64 Favored 'General case' 0 C--N 1.349 0.575 0 O-C-N 123.844 0.715 . . . . 61.34 109.805 172.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.4 -32.43 72.37 Favored 'General case' 0 C--N 1.355 0.837 0 O-C-N 124.039 0.837 . . . . 74.31 111.763 -178.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 85.7 mt -64.73 -44.73 96.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 123.241 0.616 . . . . 74.33 109.925 174.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.4 HG21 ' O ' ' A' ' 50' ' ' ARG . 70.6 t -63.33 -47.4 92.15 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.825 0 C-N-CA 123.351 0.66 . . . . 74.05 110.583 179.202 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -61.68 -40.69 95.86 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.506 0.722 . . . . 63.25 110.937 178.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -60.72 -50.53 73.09 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.963 0.905 . . . . 73.01 111.297 -179.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -61.78 -38.95 89.95 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.401 0.681 . . . . 75.42 112.015 176.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -84.49 -4.11 58.76 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 122.512 0.325 . . . . 70.31 111.707 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 59.48 29.28 18.82 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.785 1.234 . . . . 73.34 111.776 178.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -79.95 86.13 5.49 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.001 1.32 . . . . 71.2 107.838 176.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.87 -36.86 77.78 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.317 1.047 . . . . 74.22 112.884 -175.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -60.93 -57.44 12.64 Favored 'General case' 0 C--N 1.352 0.682 0 O-C-N 123.712 0.633 . . . . 72.41 110.074 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -65.75 -34.48 88.93 Favored Glycine 0 C--N 1.337 0.611 0 O-C-N 124.309 1.006 . . . . 70.2 113.233 -178.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 63.7 tp -67.23 -40.98 86.41 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.169 0.588 . . . . 72.2 110.368 178.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 44.8 ttm180 -68.54 -36.99 79.57 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.186 0.994 . . . . 75.42 110.207 177.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.441 ' HG2' ' CZ ' ' A' ' 29' ' ' TYR . 60.6 ttm-85 -73.8 -36.26 64.98 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 114.333 -1.303 . . . . 74.44 110.253 -177.312 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.484 ' O ' ' HB2' ' A' ' 71' ' ' LEU . . . -75.2 -41.11 58.53 Favored 'General case' 0 C--O 1.219 -0.541 0 CA-C-N 115.274 -0.875 . . . . 64.1 110.185 179.187 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.33 -45.82 92.84 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 124.466 1.104 . . . . 53.41 111.182 178.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -61.6 -51.04 70.17 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 114.136 -1.393 . . . . 75.45 110.845 -179.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 50.4 m -70.14 -28.25 65.2 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.607 0.763 . . . . 74.41 111.644 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.484 ' HB2' ' O ' ' A' ' 67' ' ' ALA . 0.6 OUTLIER -60.44 -56.13 25.15 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.622 0.769 . . . . 72.23 109.943 -176.507 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.518 ' HG3' ' HG3' ' A' ' 73' ' ' GLU . 25.2 pttm -63.59 -31.3 72.43 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 124.06 0.85 . . . . 75.23 111.994 -173.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.518 ' HG3' ' HG3' ' A' ' 72' ' ' LYS . 41.6 mt-10 -87.26 -22.31 25.26 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.692 0.797 . . . . 72.21 111.554 -176.006 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.02 -31.31 61.34 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 110.014 -0.365 . . . . 73.52 110.014 170.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.768 HD11 ' HA ' ' A' ' 88' ' ' LYS . 70.2 mt -66.43 -42.08 89.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 124.185 0.994 . . . . 75.2 111.824 179.234 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 82.6 p -70.0 -16.38 63.17 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 116.187 -0.46 . . . . 74.35 110.631 177.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -99.64 -0.08 40.99 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 124.238 1.015 . . . . 73.03 112.192 179.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 59.3 mt . . . . . 0 N--CA 1.489 1.487 0 C-N-CA 122.987 0.515 . . . . 75.23 110.587 178.363 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 . . . . . 0 CA--C 1.548 0.896 0 N-CA-C 110.377 -0.231 . . . . 71.2 110.377 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -76.08 -39.38 55.48 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 122.922 0.489 . . . . 53.12 111.726 -171.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.768 ' HA ' HD11 ' A' ' 75' ' ' ILE . 14.9 tmtt? -70.63 -32.58 69.95 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.424 0.689 . . . . 73.13 111.457 -175.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -65.24 -27.44 68.66 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.809 0.843 . . . . 53.33 112.004 178.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.431 ' HE1' HD21 ' A' ' 71' ' ' LEU . 39.5 mtm -62.53 -34.95 77.94 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.387 0.675 . . . . 74.41 111.746 176.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.424 ' O ' ' HG2' ' A' ' 95' ' ' GLU . . . -62.44 -42.84 99.75 Favored 'General case' 0 C--N 1.348 0.508 0 O-C-N 123.59 0.556 . . . . 63.44 109.842 174.111 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.613 ' HZ3' ' HB3' ' A' ' 92' ' ' LYS . 7.7 mtpm? -63.58 -35.55 80.89 Favored 'General case' 0 C--N 1.353 0.759 0 O-C-N 124.356 1.035 . . . . 74.11 111.191 178.585 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -60.62 -49.96 75.42 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.26 0.624 . . . . 73.32 110.474 174.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.83 -29.53 70.49 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 114.82 -1.082 . . . . 74.21 111.628 -178.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' A' ' 91' ' ' ALA . 75.6 mm-40 -60.95 -51.55 68.79 Favored 'General case' 0 C--N 1.357 0.911 0 C-N-CA 123.225 0.61 . . . . 73.01 110.224 171.185 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.504 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 23.6 mm-40 -63.46 -41.74 98.62 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 115.422 -0.808 . . . . 74.21 111.593 -174.008 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 48.1 m0 -63.81 -46.31 85.72 Favored 'General case' 0 C--N 1.345 0.409 0 O-C-N 124.086 0.866 . . . . 75.21 110.11 179.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 47.4 tp -63.48 -48.32 78.14 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 124.12 0.888 . . . . 74.12 111.763 -176.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -66.01 -36.37 83.09 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.001 0.52 . . . . 73.12 111.259 -177.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.38 -29.6 62.73 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 116.025 -0.534 . . . . 62.21 110.818 178.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 . . . . . 0 N--CA 1.482 1.164 0 C-N-CA 122.965 0.506 . . . . 62.53 110.72 173.29 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 4.1 mpp? . . . . . 0 CA--C 1.562 1.437 0 CA-C-O 118.955 -0.545 . . . . 60.24 109.725 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.76 -80.4 0.05 OUTLIER Glycine 0 C--N 1.368 2.342 0 C-N-CA 124.177 0.894 . . . . 74.22 114.338 -177.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 28.0 mmt180 -55.1 -31.12 60.98 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 125.399 1.48 . . . . 74.41 113.184 -175.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.7 -37.25 83.47 Favored 'General case' 0 CA--C 1.551 0.996 0 CA-C-O 119.025 -0.512 . . . . 73.21 112.021 -176.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.701 HD21 HD11 ' A' ' 31' ' ' ILE . 15.4 mt -70.35 -33.72 71.79 Favored 'General case' 0 N--CA 1.491 1.575 0 CA-C-N 118.123 0.42 . . . . 75.44 111.451 176.115 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -60.8 -42.31 97.37 Favored 'General case' 0 CA--C 1.548 0.866 0 O-C-N 123.799 0.687 . . . . 75.42 110.11 178.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -66.63 -35.65 80.68 Favored 'General case' 0 N--CA 1.483 1.214 0 O-C-N 123.655 0.597 . . . . 64.0 111.688 178.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.701 HD11 HD21 ' A' ' 28' ' ' LEU . 91.9 mt -64.58 -42.54 95.43 Favored 'Isoleucine or valine' 0 C--N 1.354 0.775 0 N-CA-C 109.223 -0.658 . . . . 75.34 109.223 177.438 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.94 -40.6 99.49 Favored Glycine 0 C--N 1.353 1.527 0 CA-C-N 115.35 -0.841 . . . . 64.41 112.924 178.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.2 mt -57.65 -46.72 83.84 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.305 0.642 . . . . 71.11 110.298 177.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -61.47 -42.16 98.35 Favored 'General case' 0 N--CA 1.476 0.854 0 O-C-N 124.114 0.884 . . . . 75.22 111.419 179.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.437 ' HG2' ' O ' ' A' ' 31' ' ' ILE . 75.6 mmtt -61.23 -45.48 94.36 Favored 'General case' 0 N--CA 1.478 0.948 0 O-C-N 123.749 0.655 . . . . 75.33 110.304 179.146 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -65.22 -34.9 79.46 Favored 'General case' 0 N--CA 1.482 1.134 0 O-C-N 123.913 0.758 . . . . 74.14 110.394 -177.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.454 ' HA ' ' HZ3' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -72.19 -28.22 63.06 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.733 0.813 . . . . 71.51 112.124 177.05 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 78.4 mtm -85.22 -0.96 56.3 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.339 0.656 . . . . 73.42 111.468 176.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.76 1.33 89.3 Favored Glycine 0 C--N 1.355 1.595 0 O-C-N 122.966 0.167 . . . . 65.34 113.051 -176.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -84.74 61.85 7.02 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.697 1.199 . . . . 73.24 109.342 177.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -67.74 -19.44 65.13 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 114.021 -1.445 . . . . 72.1 112.351 -173.14 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 25.4 tpt85 -66.03 -51.9 54.09 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.745 0.818 . . . . 73.13 110.343 176.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.414 ' HA ' ' HG2' ' A' ' 46' ' ' GLU . 5.4 mp0 -71.3 -31.6 67.62 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 116.457 -0.338 . . . . 74.42 110.384 176.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.35 -55.25 37.27 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 123.275 0.359 . . . . 60.24 110.421 178.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.42 -44.11 84.36 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 124.675 1.234 . . . . 70.13 111.722 -175.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.469 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 12.0 pt-20 -71.68 -35.38 70.27 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 119.199 -0.429 . . . . 65.05 111.566 -177.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.436 ' CD1' HD22 ' A' ' 28' ' ' LEU . 19.1 m-85 -69.15 -31.89 70.86 Favored 'General case' 0 N--CA 1.484 1.226 0 CA-C-N 118.353 0.524 . . . . 74.43 111.621 178.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -66.76 -38.09 85.9 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 123.907 0.754 . . . . 71.32 110.007 170.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -68.95 -46.66 67.63 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.659 0.784 . . . . 75.33 111.994 -178.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.469 ' HG3' ' O ' ' A' ' 46' ' ' GLU . 61.9 mtt-85 -62.96 -42.68 99.89 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.239 1.015 . . . . 73.35 109.684 -178.088 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.23 -39.73 89.78 Favored 'General case' 0 C--N 1.351 0.664 0 CA-C-N 114.485 -1.234 . . . . 71.34 110.176 175.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.6 -32.14 73.09 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.642 0.777 . . . . 73.22 112.017 -177.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 84.3 mt -62.49 -39.54 84.81 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.267 0 C-N-CA 123.556 0.742 . . . . 73.33 110.336 174.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.484 ' HA ' ' HE3' ' A' ' 57' ' ' LYS . 40.4 t -72.76 -37.72 56.04 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.596 0 C-N-CA 123.938 0.895 . . . . 72.02 110.442 -179.039 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -72.07 -28.36 63.27 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 115.833 -0.621 . . . . 75.41 110.762 175.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -75.17 -48.52 23.21 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.385 0.674 . . . . 73.11 111.06 -179.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.484 ' HE3' ' HA ' ' A' ' 54' ' ' VAL . 18.1 ptpt -63.34 -35.28 79.87 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 116.098 -0.501 . . . . 74.44 111.514 -178.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -86.31 -10.08 55.17 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.045 0.538 . . . . 73.53 111.296 176.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 65.62 29.22 11.04 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 124.386 1.075 . . . . 74.35 112.471 177.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -80.06 94.5 5.96 Favored 'General case' 0 C--N 1.346 0.449 0 N-CA-C 108.565 -0.902 . . . . 73.11 108.565 172.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 20.5 p -63.37 -27.97 69.68 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 114.879 -1.055 . . . . 62.11 112.283 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -64.79 -57.69 8.23 Favored 'General case' 0 C--N 1.35 0.618 0 O-C-N 123.9 0.75 . . . . 74.3 110.08 -176.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -67.8 -36.74 87.66 Favored Glycine 0 C--N 1.342 0.863 0 O-C-N 124.454 1.096 . . . . 64.43 112.894 178.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 61.2 tp -62.43 -36.76 83.41 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 123.366 0.666 . . . . 72.31 110.594 178.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 37.4 ttt180 -72.48 -43.65 63.4 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.833 0.853 . . . . 74.12 110.039 178.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.7 mmt180 -59.25 -44.1 92.39 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 124.049 0.843 . . . . 74.41 110.919 177.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.503 ' O ' ' HB2' ' A' ' 71' ' ' LEU . . . -71.36 -45.32 63.19 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 115.057 -0.974 . . . . 72.03 110.287 -178.059 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.43 -43.66 96.83 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.665 0.786 . . . . 74.13 111.95 -178.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.455 ' O ' ' HG2' ' A' ' 73' ' ' GLU . 11.1 tmtt? -66.42 -51.56 55.67 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 115.027 -0.988 . . . . 72.44 108.698 -177.383 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.2 t -67.41 -27.88 67.45 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 123.274 0.629 . . . . 74.5 111.293 -177.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.503 ' HB2' ' O ' ' A' ' 67' ' ' ALA . 1.5 tt -58.99 -56.53 21.01 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 124.563 1.145 . . . . 74.55 109.984 -178.379 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.557 ' HA ' HD13 ' A' ' 75' ' ' ILE . 14.4 ptmm? -68.49 -30.36 69.18 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 115.506 -0.77 . . . . 74.31 111.765 -177.027 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' A' ' 69' ' ' LYS . 11.2 mm-40 -72.65 -26.77 61.77 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.396 0.678 . . . . 73.32 111.275 178.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.493 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . -71.96 -39.59 69.25 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-O 120.914 0.388 . . . . 73.24 110.003 172.188 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.725 HD12 ' HA ' ' A' ' 88' ' ' LYS . 77.9 mt -64.93 -32.22 57.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 C-N-CA 124.018 0.927 . . . . 74.12 112.99 -174.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 63.1 p -64.25 -20.51 66.1 Favored 'General case' 0 CA--C 1.554 1.123 0 CA-C-O 120.825 0.345 . . . . 74.11 111.286 175.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -104.59 4.16 32.54 Favored 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 124.185 0.994 . . . . 75.31 112.48 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 64.6 mt . . . . . 0 N--CA 1.488 1.428 0 N-CA-C 109.426 -0.583 . . . . 75.15 109.426 174.911 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 . . . . . 0 C--O 1.246 0.885 0 N-CA-C 111.568 0.21 . . . . 75.43 111.568 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.604 ' HA ' ' HE1' ' A' ' 90' ' ' MET . . . -65.63 -35.07 79.74 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 112.655 0.613 . . . . 73.0 112.655 -166.165 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.725 ' HA ' HD12 ' A' ' 75' ' ' ILE . 55.1 tttp -65.38 -37.94 88.51 Favored 'General case' 0 C--N 1.353 0.755 0 O-C-N 123.427 0.454 . . . . 75.21 111.003 -179.681 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -66.39 -33.13 75.02 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 123.624 0.77 . . . . 75.25 109.502 176.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.604 ' HE1' ' HA ' ' A' ' 87' ' ' ALA . 58.9 mtm -69.41 -32.47 71.47 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.104 0.562 . . . . 64.33 111.266 178.283 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.406 ' O ' ' HG2' ' A' ' 95' ' ' GLU . . . -64.3 -38.02 89.54 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 122.359 0.263 . . . . 73.2 110.449 169.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.437 ' O ' ' HG2' ' A' ' 96' ' ' GLU . 51.9 mtpt -63.89 -37.82 88.82 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 123.822 0.701 . . . . 73.31 110.465 178.359 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 39.4 mmtm -63.34 -43.15 98.55 Favored 'General case' 0 N--CA 1.481 1.111 0 O-C-N 123.69 0.619 . . . . 71.34 110.188 174.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.34 -31.73 73.0 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.023 -0.989 . . . . 73.11 111.328 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.479 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 68.1 mm-40 -64.33 -51.44 63.42 Favored 'General case' 0 C--N 1.359 1.01 0 O-C-N 123.754 0.659 . . . . 72.2 109.247 172.269 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 28.3 mm-40 -55.94 -46.48 78.51 Favored 'General case' 0 N--CA 1.479 1.009 0 O-C-N 124.098 0.874 . . . . 71.31 111.36 -176.17 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 47.9 m0 -66.43 -46.68 75.66 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 123.95 0.781 . . . . 74.13 111.026 -178.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 34.2 tp -60.86 -41.57 96.19 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 124.032 0.833 . . . . 71.34 110.953 -177.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.479 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 63.9 mm-40 -75.6 -30.96 59.76 Favored 'General case' 0 N--CA 1.479 1.017 0 O-C-N 123.858 0.724 . . . . 75.1 110.693 179.589 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.59 -33.55 76.18 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.16 0.584 . . . . 72.32 110.498 178.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 . . . . . 0 CA--C 1.544 0.713 0 CA-C-N 115.447 -0.797 . . . . 74.33 112.131 178.637 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 3.5 mpp? . . . . . 0 CA--C 1.555 1.154 0 N-CA-C 110.108 -0.33 . . . . 73.42 110.108 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.55 -64.6 4.26 Favored Glycine 0 C--N 1.353 1.516 0 N-CA-C 110.39 -1.084 . . . . 63.12 110.39 -170.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 36.9 ptt180 -55.12 -25.87 34.53 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.431 1.093 . . . . 73.22 112.311 173.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.17 -50.39 73.85 Favored 'General case' 0 C--N 1.351 0.673 0 C-N-CA 123.262 0.625 . . . . 73.21 110.347 173.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.581 HD21 HD12 ' A' ' 31' ' ' ILE . 75.7 mt -67.85 -35.84 79.28 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 122.426 0.29 . . . . 75.04 111.245 177.212 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -56.81 -44.66 82.2 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 122.955 0.502 . . . . 75.45 110.536 176.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.83 -35.65 77.23 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 115.697 -0.683 . . . . 73.33 110.962 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.581 HD12 HD21 ' A' ' 28' ' ' LEU . 88.5 mt -62.64 -38.96 82.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 123.114 0.565 . . . . 73.43 109.839 173.093 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.67 -38.22 95.91 Favored Glycine 0 C--N 1.349 1.269 0 O-C-N 124.171 0.919 . . . . 53.31 112.107 177.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 93.4 mt -62.35 -42.36 99.33 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 122.898 0.479 . . . . 75.15 110.103 177.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -64.88 -46.9 79.83 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 124.172 0.92 . . . . 74.44 110.837 179.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -58.03 -50.2 74.24 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.412 0.685 . . . . 71.52 110.339 178.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -63.03 -36.56 83.99 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.379 1.072 . . . . 72.44 110.489 -176.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -67.56 -33.8 75.78 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.905 1.282 . . . . 73.35 111.249 177.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 75.1 mtm -85.42 -0.05 53.68 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.611 0.765 . . . . 73.15 111.572 177.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 95.46 -8.86 69.23 Favored Glycine 0 C--N 1.35 1.325 0 C-N-CA 122.978 0.323 . . . . 71.23 112.977 178.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 51.7 mttm -81.11 55.68 2.58 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.818 1.247 . . . . 75.42 110.929 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.404 ' HB1' ' HA ' ' A' ' 78' ' ' ILE . . . -67.77 -19.24 65.08 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.022 0.529 . . . . 65.35 111.654 179.386 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.479 ' NH2' ' HB3' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -63.85 -56.34 16.13 Favored 'General case' 0 C--N 1.358 0.945 0 N-CA-C 108.044 -1.095 . . . . 72.43 108.044 172.624 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -66.46 -34.17 77.33 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 115.081 -0.963 . . . . 73.51 110.552 -178.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.81 -43.34 98.32 Favored 'General case' 0 C--N 1.352 0.713 0 C-N-CA 124.234 1.014 . . . . 74.13 111.296 179.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.09 -36.69 73.22 Favored 'General case' 0 C--N 1.352 0.675 0 O-C-N 124.566 1.166 . . . . 73.22 111.63 -179.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -59.36 -53.23 60.61 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.682 0.793 . . . . 73.44 110.812 174.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.511 ' HD1' HD22 ' A' ' 28' ' ' LEU . 72.2 m-85 -66.19 -34.08 77.22 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 115.298 -0.865 . . . . 74.33 112.385 -175.008 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -69.22 -34.72 75.29 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.074 0.549 . . . . 75.11 110.769 177.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -71.9 -48.51 45.09 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.016 0.526 . . . . 73.33 110.605 -179.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 72.8 mtp180 -63.41 -31.53 72.71 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 124.259 0.974 . . . . 74.33 110.764 179.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.59 -48.53 66.57 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 123.606 0.762 . . . . 72.34 109.912 173.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.4 -33.29 72.27 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 124.225 0.953 . . . . 75.53 111.965 -177.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 96.7 mt -57.32 -45.46 85.16 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 C-N-CA 123.642 0.777 . . . . 75.32 110.621 175.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 25.8 t -62.43 -49.9 82.05 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 123.661 0.784 . . . . 74.41 110.266 -177.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -67.73 -28.57 67.76 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 115.537 -0.756 . . . . 74.2 111.979 -179.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -68.63 -47.58 66.26 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 122.919 0.488 . . . . 72.01 110.805 178.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -60.24 -40.55 90.64 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.326 0.651 . . . . 75.42 111.428 175.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -81.59 -3.37 53.15 Favored 'General case' 0 C--O 1.24 0.572 0 CA-C-N 115.554 -0.748 . . . . 73.23 111.713 178.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 59.23 24.53 12.98 Favored 'General case' 0 C--N 1.361 1.08 0 C-N-CA 125.333 1.453 . . . . 72.2 112.566 174.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -86.04 100.74 12.37 Favored 'General case' 0 C--O 1.24 0.574 0 N-CA-C 108.288 -1.004 . . . . 75.03 108.288 177.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 66.6 p -67.68 -25.13 65.54 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.099 0.96 . . . . 72.52 112.475 -174.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -65.95 -58.15 6.2 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.309 0.643 . . . . 71.31 110.545 -177.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -70.31 -32.06 68.61 Favored Glycine 0 C--N 1.346 1.088 0 O-C-N 124.287 0.992 . . . . 74.15 112.628 -177.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 53.6 tp -65.08 -47.09 78.51 Favored 'General case' 0 C--N 1.349 0.56 0 C-N-CA 123.317 0.647 . . . . 74.13 110.06 176.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 -67.07 -39.19 86.79 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.899 0.879 . . . . 72.42 110.209 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 51.6 ttm-85 -61.42 -47.15 87.08 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.466 1.106 . . . . 75.14 110.181 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.503 ' O ' ' HB2' ' A' ' 71' ' ' LEU . . . -75.05 -31.92 61.41 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 115.236 -0.893 . . . . 72.24 111.475 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.12 -46.17 71.63 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.825 0.85 . . . . 74.02 111.405 -179.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.679 ' HZ2' ' HB3' ' A' ' 69' ' ' LYS . 9.4 mtpm? -67.22 -49.76 63.34 Favored 'General case' 0 C--N 1.342 0.266 0 CA-C-N 114.961 -1.018 . . . . 63.5 110.38 178.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.9 t -63.19 -29.58 70.9 Favored 'General case' 0 C--N 1.355 0.839 0 O-C-N 124.132 0.895 . . . . 63.42 110.933 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.503 ' HB2' ' O ' ' A' ' 67' ' ' ALA . 1.4 tt -61.16 -55.4 32.69 Favored 'General case' 0 C--N 1.361 1.069 0 N-CA-C 108.654 -0.869 . . . . 72.4 108.654 173.637 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.8 tmtt? -60.87 -36.33 78.91 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 124.817 1.247 . . . . 73.55 111.468 -178.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -70.94 -31.02 67.49 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.195 0.998 . . . . 71.25 110.323 178.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.416 ' O ' HG13 ' A' ' 78' ' ' ILE . . . -72.98 -33.07 65.6 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.132 0.573 . . . . 70.24 110.778 173.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.659 HG21 ' HG2' ' A' ' 88' ' ' LYS . 32.4 mm -62.82 -51.34 73.16 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 O-C-N 123.873 0.733 . . . . 75.12 111.113 -177.36 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 33.7 p -74.01 -4.67 36.76 Favored 'General case' 0 CA--C 1.552 1.023 0 CA-C-N 114.76 -1.109 . . . . 75.21 111.715 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -107.05 -4.89 18.48 Favored 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 124.107 0.963 . . . . 75.11 112.543 174.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.416 HG13 ' O ' ' A' ' 74' ' ' ALA . 63.6 mt . . . . . 0 N--CA 1.493 1.723 0 C-N-CA 123.064 0.546 . . . . 75.03 111.763 -175.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 . . . . . 0 N--CA 1.48 1.046 0 CA-C-O 120.973 0.416 . . . . 74.43 111.673 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.562 ' HA ' ' HE2' ' A' ' 90' ' ' MET . . . -77.29 -31.48 54.83 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.415 -0.812 . . . . 61.35 111.65 -178.261 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.659 ' HG2' HG21 ' A' ' 75' ' ' ILE . 6.8 tmtt? -63.4 -37.3 86.77 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.327 0.651 . . . . 73.12 109.506 -179.617 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -60.29 -38.57 84.03 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.81 0.844 . . . . 75.52 110.665 176.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.562 ' HE2' ' HA ' ' A' ' 87' ' ' ALA . 34.7 mtm -70.88 -35.64 72.43 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 115.258 -0.883 . . . . 75.0 110.758 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.62 -33.33 75.37 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.549 0.74 . . . . 74.12 110.696 176.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -63.25 -47.35 82.82 Favored 'General case' 0 C--N 1.358 0.947 0 O-C-N 123.844 0.715 . . . . 72.35 109.674 174.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 18.7 mmtp -60.7 -48.11 83.24 Favored 'General case' 0 N--CA 1.481 1.095 0 O-C-N 123.992 0.807 . . . . 55.53 111.995 -177.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.04 -34.11 75.64 Favored 'General case' 0 CA--C 1.55 0.969 0 O-C-N 124.063 0.852 . . . . 72.54 111.628 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -68.65 -41.97 78.59 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 124.696 1.198 . . . . 73.43 109.547 176.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -69.69 -32.54 71.21 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 124.186 0.995 . . . . 73.34 111.872 -178.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 53.3 m0 -66.54 -41.91 87.98 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 123.863 0.727 . . . . 74.32 109.494 176.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 50.3 tp -60.32 -41.71 94.09 Favored 'General case' 0 CA--C 1.55 0.966 0 O-C-N 124.156 0.91 . . . . 75.54 110.835 175.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -62.46 -44.97 95.12 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.644 0.778 . . . . 74.25 111.061 176.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.48 -31.05 70.94 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.027 0.931 . . . . 63.2 111.513 -175.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 . . . . . 0 N--CA 1.471 0.611 0 C-N-CA 123.494 0.717 . . . . 75.33 110.855 176.447 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 1.6 pmm? . . . . . 0 CA--C 1.543 0.701 0 N-CA-C 109.116 -0.698 . . . . 74.3 109.116 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.8 -58.3 4.98 Favored Glycine 0 C--N 1.341 0.822 0 CA-C-N 116.258 -0.428 . . . . 52.44 112.591 -177.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 48.1 ttt85 -61.94 -30.13 70.7 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.873 0.869 . . . . 74.13 111.951 -174.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.43 -33.74 65.08 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 122.744 0.418 . . . . 64.44 110.86 178.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.491 ' O ' ' HB3' ' A' ' 47' ' ' TYR . 69.7 mt -65.19 -42.05 93.99 Favored 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 109.754 -0.462 . . . . 74.43 109.754 172.217 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.417 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 58.8 t80 -55.52 -43.65 75.9 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.633 0.773 . . . . 73.12 109.929 174.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.425 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 14.8 m120 -65.03 -42.13 94.62 Favored 'General case' 0 C--N 1.347 0.488 0 CA-C-N 115.741 -0.663 . . . . 74.12 111.393 178.693 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.431 HD12 HD21 ' A' ' 28' ' ' LEU . 96.6 mt -59.61 -41.54 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 O-C-N 123.727 0.642 . . . . 63.43 109.999 175.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.85 -41.37 99.88 Favored Glycine 0 C--N 1.344 1.027 0 O-C-N 124.188 0.93 . . . . 73.21 112.48 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 29' ' ' TYR . 88.0 mt -59.06 -39.21 81.37 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.151 0.58 . . . . 74.11 110.346 178.014 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' A' ' 30' ' ' ASN . 22.6 mm-40 -77.28 -38.72 50.26 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 123.802 0.689 . . . . 74.11 111.228 -178.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -57.88 -44.03 86.42 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.214 0.606 . . . . 71.24 109.717 176.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -61.8 -30.32 70.74 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-N 114.97 -1.014 . . . . 74.44 110.664 -178.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.414 ' HG2' ' O ' ' A' ' 33' ' ' LEU . 46.1 mmtm -76.3 -33.73 59.07 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.243 0.617 . . . . 72.05 110.393 178.025 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 89.7 mtp -75.84 -6.8 52.48 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.673 0.789 . . . . 74.52 111.634 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 96.95 -5.53 63.7 Favored Glycine 0 C--N 1.353 1.514 0 C-N-CA 123.222 0.439 . . . . 73.14 112.043 -177.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 47.6 mttm -87.39 62.63 7.28 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.66 1.184 . . . . 62.45 110.604 -177.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.89 -21.62 60.88 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 122.881 0.472 . . . . 54.22 111.773 -177.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.482 ' HB2' HG22 ' A' ' 78' ' ' ILE . 5.7 tmm_? -72.66 -48.39 39.58 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.536 0.735 . . . . 74.44 109.888 176.188 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -61.22 -42.33 98.42 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 109.409 -0.589 . . . . 74.32 109.409 174.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.89 -47.83 70.71 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 124.417 1.073 . . . . 74.24 110.678 177.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.21 -38.71 77.3 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 124.459 1.1 . . . . 72.24 111.439 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.468 ' HB3' ' NH1' ' A' ' 50' ' ' ARG . 62.8 mt-10 -68.63 -37.18 79.52 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.252 0.621 . . . . 74.35 111.615 178.364 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.491 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 51.6 m-85 -74.29 -31.67 62.6 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.244 0.618 . . . . 75.52 111.478 179.506 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -71.15 -34.59 71.13 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 123.619 0.574 . . . . 75.33 109.968 174.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.448 ' O ' HG13 ' A' ' 53' ' ' ILE . 60.7 t80 -68.94 -52.49 28.62 Favored 'General case' 0 C--N 1.347 0.459 0 CA-C-N 116.055 -0.521 . . . . 75.4 110.644 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.468 ' NH1' ' HB3' ' A' ' 46' ' ' GLU . 64.7 mtt85 -67.19 -30.03 69.86 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.71 0.804 . . . . 72.24 111.353 -177.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.04 -51.22 67.56 Favored 'General case' 0 C--O 1.238 0.457 0 O-C-N 123.68 0.613 . . . . 45.42 109.553 169.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.428 ' HB1' HD12 ' A' ' 64' ' ' LEU . . . -59.76 -33.39 71.61 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 114.878 -1.055 . . . . 75.33 112.062 -176.696 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' ' 49' ' ' PHE . 90.6 mt -57.95 -49.45 81.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 123.694 0.798 . . . . 74.31 110.439 176.558 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 82.4 t -60.92 -47.09 95.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 123.194 0.598 . . . . 75.54 110.944 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -65.03 -29.06 69.94 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 115.877 -0.601 . . . . 74.21 111.723 -179.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -74.56 -46.02 41.59 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.233 0.613 . . . . 73.01 110.618 178.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -55.41 -44.2 75.99 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.486 0.715 . . . . 72.43 111.053 172.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -78.48 -13.84 59.65 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 115.249 -0.887 . . . . 60.14 110.722 -179.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 61.53 28.2 17.53 Favored 'General case' 0 C--N 1.354 0.786 0 C-N-CA 124.791 1.237 . . . . 75.41 112.064 -178.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -81.2 88.63 6.02 Favored 'General case' 0 C--O 1.24 0.562 0 N-CA-C 108.059 -1.089 . . . . 72.43 108.059 170.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 23.5 m -57.93 -28.58 64.41 Favored 'General case' 0 CA--C 1.55 0.98 0 CA-C-N 114.354 -1.294 . . . . 74.14 111.969 -178.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -64.65 -58.41 6.39 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.097 0.959 . . . . 72.4 111.483 -178.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -71.22 -31.4 66.32 Favored Glycine 0 C--N 1.342 0.903 0 CA-C-N 115.636 -0.711 . . . . 64.43 112.508 -178.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.428 HD12 ' HB1' ' A' ' 52' ' ' ALA . 62.1 tp -60.36 -42.47 95.82 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.159 0.584 . . . . 72.23 109.62 172.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -68.8 -38.38 79.9 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 124.038 0.836 . . . . 74.12 110.342 -179.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 26.9 mmt180 -61.25 -46.93 88.34 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 123.667 0.604 . . . . 75.52 110.681 176.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -73.28 -32.95 64.97 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.558 0.743 . . . . 73.12 111.295 -178.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.88 -45.19 62.14 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.538 0.735 . . . . 71.02 110.602 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -64.48 -41.65 96.36 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 124.506 1.129 . . . . 71.5 110.153 -179.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 65.7 m -68.1 -33.79 75.18 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 115.745 -0.661 . . . . 71.41 111.475 177.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.25 -54.35 21.75 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.316 0.646 . . . . 74.54 110.492 -177.563 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -65.42 -32.25 73.78 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 115.328 -0.851 . . . . 74.42 112.138 -174.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -87.98 -15.69 35.77 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 122.735 0.414 . . . . 74.13 110.849 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.75 -25.51 60.2 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 122.684 0.394 . . . . 70.12 110.853 175.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.564 HG22 ' HD3' ' A' ' 88' ' ' LYS . 37.9 mm -60.25 -42.62 91.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 O-C-N 124.111 0.882 . . . . 74.33 111.492 -175.159 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 39.7 p -70.87 -20.46 62.52 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 122.995 0.518 . . . . 74.2 111.864 -178.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.67 -14.01 33.09 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.553 0.741 . . . . 75.33 111.57 177.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.482 HG22 ' HB2' ' A' ' 42' ' ' ARG . 58.3 mt . . . . . 0 N--CA 1.48 1.052 0 C-N-CA 123.337 0.655 . . . . 74.32 110.159 178.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 . . . . . 0 CA--C 1.549 0.942 0 N-CA-C 111.864 0.32 . . . . 71.21 111.864 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.589 ' HA ' ' HE2' ' A' ' 90' ' ' MET . . . -71.09 -31.07 67.34 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 122.438 0.295 . . . . 74.35 111.724 -178.018 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.564 ' HD3' HG22 ' A' ' 75' ' ' ILE . 55.8 tptt -58.11 -41.61 83.93 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 123.921 0.763 . . . . 75.02 110.218 175.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -69.71 -30.24 67.82 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 115.505 -0.77 . . . . 73.11 111.55 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.589 ' HE2' ' HA ' ' A' ' 87' ' ' ALA . 43.3 mtm -69.5 -39.16 77.76 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 122.779 0.432 . . . . 74.15 110.6 175.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.34 -38.5 84.0 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 115.572 -0.74 . . . . 72.22 110.312 175.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.459 ' HG3' ' O ' ' A' ' 88' ' ' LYS . 91.5 mttt -60.62 -45.96 92.06 Favored 'General case' 0 C--N 1.351 0.666 0 O-C-N 124.203 0.939 . . . . 74.24 110.332 176.126 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 18.6 mmtm -61.26 -40.76 95.29 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.43 0.692 . . . . 74.42 111.629 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.53 -39.17 90.09 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 123.991 0.807 . . . . 74.43 110.856 179.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -69.88 -40.17 75.87 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.599 0.759 . . . . 55.14 110.863 177.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' A' ' 92' ' ' LYS . 47.5 mt-10 -62.71 -40.65 97.84 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.603 0.761 . . . . 73.42 110.703 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 51.6 m0 -66.03 -42.58 89.41 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.081 -0.963 . . . . 75.45 110.482 176.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 34.0 tp -62.85 -38.18 89.8 Favored 'General case' 0 CA--C 1.546 0.816 0 O-C-N 123.889 0.743 . . . . 75.13 110.769 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -73.48 -31.78 63.95 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.145 0.578 . . . . 73.14 110.84 177.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.29 -41.89 80.31 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.249 0.62 . . . . 63.42 110.921 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 . . . . . 0 N--CA 1.467 0.413 0 CA-C-N 115.636 -0.711 . . . . 70.11 110.3 177.533 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 12.7 mtm . . . . . 0 N--CA 1.475 0.781 0 N-CA-C 108.947 -0.76 . . . . 73.21 108.947 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.83 -58.63 4.91 Favored Glycine 0 C--N 1.352 1.421 0 N-CA-C 111.668 -0.573 . . . . 75.22 111.668 -179.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -55.85 -32.17 63.4 Favored 'General case' 0 C--N 1.348 0.543 0 C-N-CA 124.758 1.223 . . . . 75.52 110.035 168.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.481 ' O ' HG13 ' A' ' 31' ' ' ILE . . . -60.82 -53.37 58.12 Favored 'General case' 0 C--N 1.355 0.81 0 O-C-N 123.726 0.641 . . . . 74.32 110.774 175.36 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.545 ' HA ' HD13 ' A' ' 31' ' ' ILE . 19.5 mt -59.28 -40.0 84.74 Favored 'General case' 0 N--CA 1.495 1.804 0 C-N-CA 122.811 0.444 . . . . 73.21 111.433 177.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -62.73 -42.45 99.67 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.792 0.837 . . . . 75.45 110.654 178.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.471 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 5.0 t-20 -68.84 -38.28 79.72 Favored 'General case' 0 C--N 1.35 0.624 0 C-N-CA 123.827 0.851 . . . . 73.52 109.495 -175.183 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.545 HD13 ' HA ' ' A' ' 28' ' ' LEU . 32.7 mt -62.02 -41.99 93.16 Favored 'Isoleucine or valine' 0 C--N 1.357 0.893 0 O-C-N 124.177 0.923 . . . . 64.35 109.832 173.696 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.26 -37.91 92.52 Favored Glycine 0 C--N 1.354 1.529 0 O-C-N 123.863 0.727 . . . . 70.41 112.623 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 62.4 mt -63.46 -36.46 83.84 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.723 0.809 . . . . 74.11 110.203 175.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.471 ' HG2' ' O ' ' A' ' 30' ' ' ASN . 44.9 mm-40 -77.52 -30.59 52.97 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.349 1.06 . . . . 73.32 111.988 -179.092 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.411 ' HG2' ' O ' ' A' ' 31' ' ' ILE . 75.8 mmtt -67.99 -48.49 65.62 Favored 'General case' 0 C--N 1.345 0.406 0 N-CA-C 107.958 -1.127 . . . . 73.21 107.958 174.204 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 35.9 t-20 -60.7 -33.82 73.45 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 124.227 1.011 . . . . 62.01 110.226 178.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.9 ttmp? -59.13 -43.24 91.96 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.588 0.755 . . . . 74.3 110.339 175.156 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 73.2 mtm -80.04 -9.82 59.72 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 115.612 -0.722 . . . . 75.21 112.01 -178.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 90.49 8.39 66.01 Favored Glycine 0 C--N 1.342 0.889 0 N-CA-C 112.652 -0.179 . . . . 71.51 112.652 -175.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt -81.31 80.29 7.75 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.826 0.85 . . . . 70.43 108.793 175.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.49 ' HB1' ' O ' ' A' ' 74' ' ' ALA . . . -78.48 -34.2 47.74 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.562 -0.745 . . . . 70.34 111.888 -173.073 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -65.45 -48.74 71.65 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.472 0.709 . . . . 75.11 109.612 176.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.423 ' O ' ' HD2' ' A' ' 47' ' ' TYR . 44.3 mt-10 -61.04 -46.85 89.03 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 124.037 0.835 . . . . 74.24 109.731 176.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.25 -49.83 66.07 Favored 'General case' 0 C--N 1.358 0.977 0 O-C-N 124.127 0.892 . . . . 41.35 110.666 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.91 -43.94 81.87 Favored 'General case' 0 CA--C 1.55 0.952 0 O-C-N 124.483 1.114 . . . . 73.04 112.023 -178.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -72.03 -38.7 69.51 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.104 0.562 . . . . 64.34 111.813 -178.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.423 ' HD2' ' O ' ' A' ' 43' ' ' GLU . 41.3 m-85 -67.75 -30.39 69.85 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.533 0.733 . . . . 75.41 110.469 177.023 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -75.33 -35.5 61.2 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.487 0.715 . . . . 72.22 110.972 174.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -70.08 -52.8 20.94 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 123.579 0.549 . . . . 73.24 110.55 -177.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.462 ' O ' HG21 ' A' ' 54' ' ' VAL . 61.6 mtp180 -61.09 -37.24 82.01 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 115.279 -0.873 . . . . 74.44 110.583 178.465 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.11 -47.13 87.17 Favored 'General case' 0 C--N 1.355 0.841 0 O-C-N 123.763 0.664 . . . . 64.01 110.312 173.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.08 -31.76 73.08 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.735 0.814 . . . . 40.21 111.621 -178.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 95.4 mt -62.7 -47.17 94.18 Favored 'Isoleucine or valine' 0 C--N 1.358 0.955 0 C-N-CA 123.435 0.694 . . . . 73.4 109.872 174.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.462 HG21 ' O ' ' A' ' 50' ' ' ARG . 47.8 t -68.89 -41.27 81.98 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.852 0 C-N-CA 123.506 0.722 . . . . 71.22 110.761 -177.534 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -62.07 -38.16 87.76 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.672 0.789 . . . . 75.54 110.353 176.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.444 ' CD1' ' HB3' ' A' ' 97' ' ' TRP . 50.0 t80 -69.58 -44.88 69.92 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.055 0.542 . . . . 73.33 111.235 179.565 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -54.54 -44.52 72.91 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 124.103 0.961 . . . . 75.54 111.865 174.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -83.84 -10.63 57.9 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 115.99 -0.55 . . . . 74.33 111.157 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 65.1 m-70 60.68 30.51 19.76 Favored 'General case' 0 C--N 1.355 0.81 0 C-N-CA 124.903 1.281 . . . . 71.22 111.705 -177.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -80.44 90.64 5.65 Favored 'General case' 0 C--O 1.244 0.8 0 N-CA-C 107.341 -1.355 . . . . 63.53 107.341 171.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 18.2 m -69.52 -26.12 64.37 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 114.597 -1.183 . . . . 71.24 111.761 -171.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -63.41 -52.11 62.95 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.298 0.639 . . . . 70.32 110.737 -177.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -67.7 -40.53 90.13 Favored Glycine 0 C--N 1.348 1.203 0 CA-C-N 115.052 -0.976 . . . . 73.25 112.179 178.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 62.2 tp -60.22 -36.92 78.79 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.615 1.166 . . . . 75.31 111.08 177.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 28.4 ttp180 -65.58 -51.2 61.54 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.634 1.174 . . . . 75.22 110.81 -179.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 48.0 ttt-85 -73.72 -30.43 62.84 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 114.75 -1.114 . . . . 74.24 110.063 -175.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.471 ' O ' ' HB2' ' A' ' 71' ' ' LEU . . . -69.95 -35.19 74.3 Favored 'General case' 0 C--N 1.353 0.746 0 C-N-CA 123.473 0.709 . . . . 70.25 111.107 177.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.1 -41.12 96.09 Favored 'General case' 0 N--CA 1.478 0.96 0 O-C-N 123.84 0.712 . . . . 73.11 111.402 178.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -75.85 -50.94 13.68 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 115.547 -0.752 . . . . 73.41 111.044 178.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 55.2 m -59.69 -30.05 68.51 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.238 0.615 . . . . 74.25 111.783 -176.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.471 ' HB2' ' O ' ' A' ' 67' ' ' ALA . 0.6 OUTLIER -60.83 -55.5 32.34 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 123.873 0.869 . . . . 75.43 109.543 178.182 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.574 ' HA ' HD11 ' A' ' 75' ' ' ILE . 18.6 ptpt -68.69 -29.61 68.1 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 112.289 0.477 . . . . 72.42 112.289 -175.574 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -70.3 -35.16 73.5 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.861 0.464 . . . . 64.34 110.608 177.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.49 ' O ' ' HB1' ' A' ' 41' ' ' ALA . . . -67.69 -38.31 83.52 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 116.13 -0.486 . . . . 72.23 110.334 172.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.76 HD13 ' HA ' ' A' ' 88' ' ' LYS . 64.6 mt -65.35 -41.4 91.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 123.562 0.745 . . . . 72.32 112.548 -177.681 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 73.1 p -62.48 -24.89 67.71 Favored 'General case' 0 CA--C 1.551 1.003 0 O-C-N 123.381 0.426 . . . . 75.22 110.836 176.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -89.81 -16.83 29.33 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.973 0.909 . . . . 75.23 112.394 178.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 69.3 mt . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.155 -0.683 . . . . 73.31 109.155 176.15 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 . . . . . 0 CA--C 1.539 0.521 0 N-CA-C 108.866 -0.79 . . . . 72.4 108.866 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -77.1 -25.84 52.68 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.561 0.745 . . . . 54.02 111.829 177.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.76 ' HA ' HD13 ' A' ' 75' ' ' ILE . 85.5 tttt -59.86 -41.57 91.78 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-O 121.797 0.808 . . . . 72.31 112.436 -172.298 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -73.66 -24.36 59.97 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 114.366 -1.288 . . . . 71.2 110.966 -178.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 28.3 mtm -61.37 -34.78 75.88 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 122.834 0.453 . . . . 75.3 111.302 172.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.435 ' HA ' HD11 ' A' ' 71' ' ' LEU . . . -60.94 -43.53 98.54 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.147 0.579 . . . . 72.12 110.303 175.154 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.522 ' O ' ' HG2' ' A' ' 96' ' ' GLU . 39.3 ttmt -58.19 -43.35 87.49 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 124.538 1.149 . . . . 61.11 110.366 176.374 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -58.8 -45.23 90.35 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.975 0.91 . . . . 75.43 112.008 178.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.79 -33.0 74.29 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.35 0.66 . . . . 65.2 110.784 178.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -74.66 -34.02 62.63 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.731 0.812 . . . . 72.34 111.538 175.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.522 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 10.4 mm-40 -58.95 -46.74 87.28 Favored 'General case' 0 N--CA 1.488 1.437 0 CA-C-O 121.761 0.791 . . . . 74.02 109.903 178.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . 0.444 ' HB3' ' CD1' ' A' ' 56' ' ' TYR . 22.9 m0 -68.66 -37.66 79.81 Favored 'General case' 0 C--N 1.34 0.189 0 CA-C-N 113.719 -1.582 . . . . 72.24 110.343 179.576 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 35.1 tp -63.01 -36.43 83.54 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 115.767 -0.651 . . . . 74.34 111.019 177.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -74.7 -30.62 61.61 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.148 0.579 . . . . 74.43 110.971 177.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.31 -34.35 78.13 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 123.649 0.593 . . . . 74.12 110.49 175.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 . . . . . 0 N--CA 1.474 0.771 0 C-N-CA 123.626 0.77 . . . . 75.34 110.747 176.812 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 21.6 mtm . . . . . 0 N--CA 1.476 0.829 0 N-CA-C 108.598 -0.89 . . . . 74.42 108.598 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.67 -68.14 3.42 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 118.718 0.69 . . . . 55.32 111.749 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -60.75 -23.08 64.68 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.543 1.137 . . . . 75.11 111.942 178.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.9 -45.91 89.15 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.099 0.56 . . . . 72.23 111.495 175.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.499 ' HA ' HD12 ' A' ' 31' ' ' ILE . 46.4 mt -62.65 -37.89 88.13 Favored 'General case' 0 N--CA 1.483 1.219 0 O-C-N 123.39 0.431 . . . . 74.53 111.113 174.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -57.16 -45.18 83.86 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 123.728 0.642 . . . . 74.23 111.091 -179.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -66.81 -34.73 78.45 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 122.935 0.494 . . . . 72.04 111.465 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.499 HD12 ' HA ' ' A' ' 28' ' ' LEU . 75.3 mt -64.76 -37.37 79.98 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 C-N-CA 123.544 0.738 . . . . 75.33 109.979 176.136 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -65.99 -41.66 95.14 Favored Glycine 0 C--N 1.352 1.419 0 CA-C-N 115.267 -0.879 . . . . 74.1 112.584 178.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.9 mt -58.71 -35.83 73.28 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.364 0.666 . . . . 71.22 110.761 177.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.488 ' HA ' ' HE2' ' A' ' 37' ' ' LYS . 51.4 mm-40 -68.82 -46.19 69.26 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 115.362 -0.836 . . . . 74.32 111.304 177.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm -61.89 -34.2 75.6 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.284 0.634 . . . . 74.51 111.697 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -67.07 -41.96 85.5 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.977 0.911 . . . . 72.41 110.308 -176.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.488 ' HE2' ' HA ' ' A' ' 34' ' ' GLU . 51.8 mtmt -62.73 -41.82 99.37 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 123.168 0.587 . . . . 74.31 110.649 176.212 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 73.2 mtm -80.06 1.87 26.08 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 115.037 -0.983 . . . . 65.14 111.651 -175.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 99.47 -23.45 36.16 Favored Glycine 0 C--N 1.353 1.496 0 CA-C-O 119.801 -0.444 . . . . 73.41 113.448 169.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt -82.03 76.6 8.91 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.141 0.577 . . . . 73.23 110.277 -176.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.417 ' HB2' ' HA ' ' A' ' 78' ' ' ILE . . . -83.57 -4.53 58.64 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 115.582 -0.735 . . . . 73.11 112.569 -173.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.2 mtm180 -73.08 -45.25 58.34 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-N 118.184 0.447 . . . . 74.34 109.91 165.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -66.21 -38.36 87.76 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 114.956 -1.02 . . . . 64.41 109.773 175.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.46 -50.05 74.3 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 122.662 0.385 . . . . 72.23 110.35 171.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.13 -46.06 83.0 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 124.442 1.089 . . . . 75.43 112.695 -177.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -70.94 -32.79 69.78 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 122.516 0.326 . . . . 75.34 111.817 -176.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.426 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 24.5 m-85 -70.27 -36.85 74.69 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 122.229 0.212 . . . . 75.23 110.786 175.564 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.586 ' HB2' ' HG ' ' A' ' 71' ' ' LEU . 22.4 m-85 -67.66 -31.91 72.22 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 123.651 0.594 . . . . 72.35 110.765 175.003 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -74.93 -51.98 12.38 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 123.71 0.631 . . . . 74.32 111.233 -177.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 62.8 mtp180 -64.12 -33.0 74.78 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 123.863 0.727 . . . . 63.53 110.364 -178.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.05 -46.78 73.34 Favored 'General case' 0 C--N 1.349 0.569 0 CA-C-N 115.93 -0.577 . . . . 75.3 109.783 172.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.39 -29.83 70.17 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.859 0.864 . . . . 74.03 112.163 -179.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.418 ' O ' ' HD3' ' A' ' 57' ' ' LYS . 88.4 mt -60.1 -54.5 33.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 N-CA-C 109.105 -0.702 . . . . 74.14 109.105 172.567 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 59.9 t -62.33 -34.77 65.98 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.872 0 C-N-CA 123.845 0.858 . . . . 70.15 111.041 -177.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -68.36 -49.85 57.32 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 116.148 -0.478 . . . . 75.42 110.595 178.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -62.81 -46.81 86.25 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.479 0.712 . . . . 74.44 111.936 -176.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.418 ' HD3' ' O ' ' A' ' 53' ' ' ILE . 5.4 mptp? -56.15 -42.43 76.97 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.056 0.943 . . . . 61.53 111.637 177.215 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -86.73 -8.61 57.24 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 115.808 -0.633 . . . . 75.43 112.065 178.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 61.0 61.85 1.54 Allowed 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.968 1.307 . . . . 71.44 112.118 -179.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -113.94 86.98 2.52 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 125.245 1.418 . . . . 73.54 107.769 174.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.4 m -68.27 -23.59 64.78 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.616 0.767 . . . . 74.41 111.221 -176.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -57.26 -57.47 12.46 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.947 1.299 . . . . 74.45 110.221 174.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -72.78 -38.87 56.39 Favored Glycine 0 C--N 1.343 0.966 0 CA-C-N 114.974 -1.012 . . . . 75.41 112.804 177.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 61.6 tp -62.37 -44.37 96.63 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.668 0.787 . . . . 74.5 111.421 -175.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 64.5 ttt180 -64.99 -45.31 86.11 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.462 0.705 . . . . 74.12 110.192 179.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 36.6 ttp-105 -69.13 -33.72 73.9 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 114.663 -1.153 . . . . 75.5 111.212 -175.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.461 ' O ' ' HB2' ' A' ' 71' ' ' LEU . . . -75.85 -41.24 52.94 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.82 0.848 . . . . 71.01 110.556 176.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.36 -42.47 98.89 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 124.098 0.959 . . . . 71.22 111.404 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.439 ' O ' ' HG2' ' A' ' 73' ' ' GLU . 22.5 tptm -66.69 -52.09 48.6 Favored 'General case' 0 C--N 1.345 0.397 0 CA-C-N 114.658 -1.155 . . . . 73.51 109.865 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 78.2 p -63.45 -30.05 71.23 Favored 'General case' 0 C--N 1.349 0.546 0 O-C-N 123.916 0.76 . . . . 72.34 111.484 -178.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.586 ' HG ' ' HB2' ' A' ' 48' ' ' PHE . 0.7 OUTLIER -63.75 -51.81 63.22 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.082 0.953 . . . . 73.32 109.031 177.735 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.7 tmmm? -69.1 -33.54 73.68 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 123.992 0.917 . . . . 74.03 111.363 -177.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' A' ' 69' ' ' LYS . 26.4 mm-40 -69.88 -33.13 71.82 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 110.083 -0.34 . . . . 60.41 110.083 173.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.512 ' O ' HG13 ' A' ' 78' ' ' ILE . . . -69.34 -32.09 70.95 Favored 'General case' 0 C--O 1.214 -0.785 0 CA-C-O 118.841 -0.6 . . . . 71.43 110.918 177.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.444 HG12 ' O ' ' A' ' 71' ' ' LEU . 36.5 mm -60.64 -49.93 82.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 C-N-CA 123.249 0.62 . . . . 74.43 111.558 -177.255 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 17.0 p -68.1 -27.79 66.78 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 123.892 0.745 . . . . 64.41 111.207 175.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -82.2 -8.56 59.65 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.796 0.839 . . . . 74.24 112.504 179.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.512 HG13 ' O ' ' A' ' 74' ' ' ALA . 78.3 mt . . . . . 0 CA--C 1.554 1.126 0 N-CA-C 109.432 -0.581 . . . . 72.2 109.432 176.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 . . . . . 0 N--CA 1.478 0.967 0 CA-C-O 120.612 0.244 . . . . 74.15 111.33 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.23 -26.0 65.48 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.85 0.86 . . . . 73.44 112.352 -170.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -61.31 -34.2 74.83 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.86 0.864 . . . . 75.35 111.938 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -65.38 -30.59 71.43 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 115.63 -0.714 . . . . 74.2 110.896 178.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 40.5 mtm -72.65 -40.82 66.06 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 115.496 -0.774 . . . . 75.34 110.174 177.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.485 ' HB2' HD22 ' A' ' 71' ' ' LEU . . . -61.48 -42.6 99.03 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.15 0.58 . . . . 74.52 110.53 174.55 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.433 ' O ' ' HG2' ' A' ' 96' ' ' GLU . 56.6 tptt -59.76 -47.35 86.04 Favored 'General case' 0 C--O 1.223 -0.335 0 O-C-N 124.882 1.364 . . . . 75.24 109.359 178.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 15.7 mmtm -59.83 -44.4 94.07 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 124.451 1.095 . . . . 73.43 111.509 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.29 -39.65 92.83 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.185 0.594 . . . . 74.13 111.713 -177.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -75.39 -28.54 59.5 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.564 0.746 . . . . 73.41 110.772 178.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.433 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 15.8 mm-40 -66.09 -40.51 90.86 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 122.95 0.5 . . . . 72.43 109.78 172.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 47.7 m0 -66.44 -35.58 80.65 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.585 0.754 . . . . 75.4 111.038 177.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 51.4 tp -59.57 -50.31 74.38 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 123.882 0.739 . . . . 73.44 110.211 175.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -65.51 -30.79 71.6 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.274 0.63 . . . . 72.2 110.949 178.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.45 -33.49 75.25 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.698 0.799 . . . . 75.54 111.249 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 . . . . . 0 C--N 1.352 0.677 0 C-N-CA 122.926 0.49 . . . . 74.42 111.105 175.958 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 35.3 mtm . . . . . 0 N--CA 1.478 0.929 0 N-CA-C 109.663 -0.495 . . . . 75.22 109.663 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.64 -62.74 3.97 Favored Glycine 0 C--N 1.348 1.208 0 N-CA-C 111.427 -0.669 . . . . 72.22 111.427 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 37.5 ttt-85 -64.53 -22.66 67.03 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 123.328 0.651 . . . . 74.43 110.654 176.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.21 -47.09 81.08 Favored 'General case' 0 C--N 1.347 0.462 0 C-N-CA 122.875 0.47 . . . . 65.3 111.179 174.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.444 HD22 HD12 ' A' ' 31' ' ' ILE . 26.4 mt -67.03 -38.66 86.3 Favored 'General case' 0 C--N 1.365 1.274 0 CA-C-O 120.847 0.356 . . . . 75.32 110.536 176.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -56.74 -42.8 79.93 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 124.218 1.007 . . . . 75.13 111.055 174.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -71.63 -38.49 70.77 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.034 0.934 . . . . 71.24 110.453 -175.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.444 HD12 HD22 ' A' ' 28' ' ' LEU . 91.5 mt -61.14 -41.96 91.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 123.681 0.792 . . . . 70.11 109.57 172.646 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -60.29 -36.56 91.19 Favored Glycine 0 C--N 1.352 1.435 0 CA-C-N 115.289 -0.869 . . . . 74.45 112.751 177.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.1 mt -68.35 -43.8 76.65 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.264 0.625 . . . . 72.31 110.3 176.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -63.08 -33.41 75.39 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.325 0.65 . . . . 65.15 111.073 178.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.529 ' HA ' ' HE3' ' A' ' 38' ' ' MET . 64.3 mttm -72.78 -46.16 54.75 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.441 0.696 . . . . 74.43 110.638 175.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -59.69 -33.68 71.9 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.56 0.744 . . . . 75.32 110.323 178.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -63.46 -38.45 91.2 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.031 1.332 . . . . 72.23 111.038 176.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.529 ' HE3' ' HA ' ' A' ' 35' ' ' LYS . 51.1 mtm -83.62 6.85 19.27 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.646 0.778 . . . . 73.5 111.393 178.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.57 2.02 90.06 Favored Glycine 0 C--N 1.356 1.642 0 CA-C-O 120.174 -0.236 . . . . 61.32 113.063 -178.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp -82.73 78.92 9.27 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.376 0.67 . . . . 75.33 109.893 178.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.67 -33.18 53.42 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.686 0.794 . . . . 74.15 111.065 179.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 47.6 tpt85 -66.13 -45.83 79.66 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.77 0.828 . . . . 72.54 110.431 -179.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.465 ' HB3' ' HD3' ' A' ' 35' ' ' LYS . 47.9 mt-10 -69.77 -39.85 76.41 Favored 'General case' 0 C--N 1.353 0.757 0 O-C-N 123.66 0.6 . . . . 74.41 110.64 175.716 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.76 -43.3 72.61 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 123.755 0.659 . . . . 75.13 111.283 -179.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.24 -39.07 85.42 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 124.116 0.885 . . . . 74.43 112.752 -178.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.43 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 14.5 mm-40 -58.19 -51.27 70.45 Favored 'General case' 0 N--CA 1.477 0.875 0 O-C-N 123.825 0.703 . . . . 73.55 110.329 177.515 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -72.89 -30.88 64.28 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.347 1.059 . . . . 74.54 112.192 -174.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -68.82 -32.01 71.41 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 122.854 0.461 . . . . 72.43 111.01 174.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.438 ' CG ' ' HB3' ' A' ' 90' ' ' MET . 27.4 t80 -72.48 -47.91 44.96 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 123.454 0.471 . . . . 73.21 110.842 178.132 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.43 ' HG3' ' O ' ' A' ' 46' ' ' GLU . 85.8 mtt180 -61.03 -38.56 86.56 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 124.097 0.873 . . . . 75.31 109.765 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.33 -47.34 84.65 Favored 'General case' 0 C--N 1.348 0.539 0 CA-C-N 115.131 -0.941 . . . . 60.34 110.517 173.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.72 -36.06 79.86 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.52 0.728 . . . . 75.43 112.11 -178.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 95.7 mt -59.17 -48.86 85.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 123.978 0.911 . . . . 73.01 110.089 174.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.507 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 85.9 t -60.35 -53.11 53.3 Favored 'Isoleucine or valine' 0 C--N 1.351 0.661 0 O-C-N 124.145 0.903 . . . . 54.11 110.225 -179.371 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -60.74 -31.02 70.35 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.235 0.614 . . . . 73.3 112.415 -179.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 30.2 t80 -70.77 -49.98 40.86 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.307 0.643 . . . . 64.23 111.304 177.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -74.43 -21.36 59.65 Favored 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 112.625 0.602 . . . . 72.52 112.625 -177.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.507 ' HG2' ' O ' ' A' ' 54' ' ' VAL . 5.6 mm-40 -85.4 -12.64 51.56 Favored 'General case' 0 N--CA 1.485 1.293 0 N-CA-C 109.731 -0.47 . . . . 73.33 109.731 169.094 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 74.3 m-70 62.85 29.78 16.61 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.46 1.504 . . . . 75.35 112.39 -179.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -80.38 87.61 5.62 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 107.991 -1.114 . . . . 74.12 107.991 169.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 33.4 m -61.62 -31.12 71.19 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 124.47 1.108 . . . . 71.35 112.373 -174.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -64.27 -52.88 56.46 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.239 1.015 . . . . 71.44 111.106 178.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -69.24 -30.55 71.65 Favored Glycine 0 C--N 1.345 1.062 0 CA-C-N 115.535 -0.757 . . . . 54.13 112.882 178.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 59.9 tp -66.37 -40.74 89.93 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.1 0.56 . . . . 70.32 109.948 176.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -61.59 -45.85 92.38 Favored 'General case' 0 N--CA 1.477 0.906 0 O-C-N 123.83 0.706 . . . . 74.21 110.012 175.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 61.2 ttm-85 -67.88 -40.91 83.49 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 124.745 1.278 . . . . 75.22 111.548 -174.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.434 ' O ' ' HB2' ' A' ' 71' ' ' LEU . . . -75.12 -34.42 61.69 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.57 0.748 . . . . 73.22 110.854 179.463 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.51 -40.32 89.13 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.241 0.616 . . . . 71.35 111.141 174.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.538 ' O ' ' HG2' ' A' ' 73' ' ' GLU . 22.4 tptm -68.24 -50.92 50.72 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-N 114.627 -1.17 . . . . 74.11 109.72 -179.618 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 50.6 m -64.69 -29.49 70.49 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 122.697 0.399 . . . . 70.31 111.066 -178.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.616 HD12 ' HA ' ' A' ' 91' ' ' ALA . 0.6 OUTLIER -61.12 -53.41 57.38 Favored 'General case' 0 C--N 1.354 0.801 0 C-N-CA 123.314 0.646 . . . . 71.02 109.345 176.601 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.64 -29.56 65.96 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 122.748 0.419 . . . . 73.5 111.929 -178.076 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.538 ' HG2' ' O ' ' A' ' 69' ' ' LYS . 10.2 mm-40 -66.04 -34.84 79.0 Favored 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 109.625 -0.509 . . . . 74.04 109.625 172.643 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.542 ' O ' HG13 ' A' ' 78' ' ' ILE . . . -70.73 -36.24 73.09 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.228 0.611 . . . . 73.24 110.948 176.419 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.48 HG12 ' O ' ' A' ' 71' ' ' LEU . 44.1 mm -64.55 -44.71 96.84 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 C-N-CA 123.293 0.637 . . . . 74.24 111.43 -177.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 30.8 p -68.16 -13.27 62.1 Favored 'General case' 0 CA--C 1.551 0.982 0 CA-C-N 115.668 -0.696 . . . . 73.44 111.289 176.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -97.09 -17.57 19.88 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 123.995 0.918 . . . . 75.33 111.484 173.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.542 HG13 ' O ' ' A' ' 74' ' ' ALA . 43.5 mt . . . . . 0 N--CA 1.485 1.287 0 N-CA-C 108.777 -0.823 . . . . 74.11 108.777 173.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 . . . . . 0 N--CA 1.482 1.126 0 CA-C-O 120.854 0.359 . . . . 72.15 111.343 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.96 -24.25 65.94 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.649 1.18 . . . . 75.41 112.492 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -58.64 -32.99 69.56 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 123.498 0.719 . . . . 72.35 112.345 177.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -60.78 -32.34 71.67 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.489 0.716 . . . . 71.32 110.681 177.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.438 ' HB3' ' CG ' ' A' ' 49' ' ' PHE . 31.0 mtm -74.14 -38.02 63.88 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 114.917 -1.038 . . . . 75.34 111.113 178.315 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.616 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -58.15 -43.0 87.14 Favored 'General case' 0 C--N 1.352 0.687 0 O-C-N 123.767 0.667 . . . . 64.23 109.711 173.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.445 ' O ' ' HG2' ' A' ' 96' ' ' GLU . 52.6 mtpt -62.05 -42.29 99.03 Favored 'General case' 0 C--N 1.351 0.635 0 O-C-N 124.481 1.113 . . . . 71.51 111.521 178.095 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 25.7 mmtp -56.38 -50.75 70.67 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.521 0.728 . . . . 74.12 110.699 177.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.7 -33.1 72.35 Favored 'General case' 0 CA--C 1.552 1.048 0 CA-C-N 115.027 -0.988 . . . . 64.52 111.858 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.478 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 45.8 mt-10 -68.24 -45.84 72.11 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.269 1.027 . . . . 75.44 110.71 174.525 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 19.4 mm-40 -61.09 -38.88 87.83 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.676 0.79 . . . . 75.13 110.774 -178.404 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 49.3 m0 -66.24 -41.71 89.64 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 114.982 -1.008 . . . . 73.2 110.234 177.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 51.2 tp -64.85 -37.39 87.45 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 123.657 0.598 . . . . 65.32 110.608 178.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.478 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 81.7 mm-40 -71.56 -25.68 62.31 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.199 0.599 . . . . 63.45 111.149 178.313 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -77.71 -41.65 37.15 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.512 0.725 . . . . 74.53 110.986 176.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 . . . . . 0 N--CA 1.476 0.832 0 C-N-CA 123.352 0.661 . . . . 71.33 110.798 179.387 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 23.6 mtm . . . . . 0 N--CA 1.473 0.696 0 CA-C-O 120.875 0.369 . . . . 74.02 110.48 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.65 -55.82 4.43 Favored Glycine 0 C--N 1.347 1.162 0 N-CA-C 109.805 -1.318 . . . . 71.43 109.805 -170.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -58.1 -35.32 71.26 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.463 1.105 . . . . 75.03 111.114 175.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.83 -46.06 81.94 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 123.158 0.583 . . . . 72.35 111.163 174.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.482 HD22 HD12 ' A' ' 31' ' ' ILE . 28.2 mt -66.11 -35.41 80.44 Favored 'General case' 0 N--CA 1.484 1.227 0 O-C-N 123.133 0.27 . . . . 73.44 111.237 176.607 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -58.64 -44.5 90.1 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.251 0.621 . . . . 74.22 110.946 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 66.5 m-80 -68.24 -34.8 76.88 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 122.781 0.433 . . . . 75.32 111.468 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.482 HD12 HD22 ' A' ' 28' ' ' LEU . 85.4 mt -62.32 -40.71 88.87 Favored 'Isoleucine or valine' 0 C--N 1.352 0.695 0 N-CA-C 109.532 -0.544 . . . . 72.01 109.532 174.024 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.8 -37.51 94.79 Favored Glycine 0 C--N 1.344 1.016 0 CA-C-N 115.214 -0.903 . . . . 55.13 112.331 176.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.5 mt -63.37 -40.7 97.98 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.393 0.677 . . . . 72.44 110.411 178.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -67.79 -44.25 77.8 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 123.98 0.8 . . . . 73.21 111.403 179.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.0 mptp? -59.35 -48.94 79.73 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.484 0.714 . . . . 72.05 109.767 175.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -60.79 -36.02 77.93 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.051 0.94 . . . . 64.01 110.656 -178.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.2 tptt -67.5 -39.38 85.16 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.842 0.857 . . . . 73.43 110.851 178.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 53.5 mtm -77.54 -7.69 56.67 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.011 0.525 . . . . 74.02 111.495 178.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 92.47 1.32 68.92 Favored Glycine 0 C--N 1.346 1.087 0 N-CA-C 112.082 -0.407 . . . . 73.53 112.082 -178.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -79.04 68.28 4.95 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 108.878 -0.786 . . . . 74.43 108.878 173.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.424 ' HB2' ' O ' ' A' ' 74' ' ' ALA . . . -78.26 -25.86 46.98 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.039 0.936 . . . . 61.21 111.604 -173.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -65.93 -49.39 68.14 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.403 1.081 . . . . 74.14 109.36 172.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -64.39 -41.3 96.73 Favored 'General case' 0 N--CA 1.478 0.933 0 O-C-N 123.839 0.712 . . . . 75.13 110.915 175.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.52 -46.02 87.64 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.944 0.898 . . . . 75.41 110.843 -178.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.62 -33.71 66.54 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 124.649 1.218 . . . . 65.32 111.889 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.424 ' HB3' ' NH1' ' A' ' 50' ' ' ARG . 42.3 mt-10 -65.78 -51.74 56.57 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.519 0.728 . . . . 64.12 110.676 177.266 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.478 ' HD1' HD23 ' A' ' 28' ' ' LEU . 79.5 m-85 -68.86 -33.41 73.75 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 115.613 -0.721 . . . . 71.22 111.921 -175.332 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.401 ' HB2' ' HG ' ' A' ' 71' ' ' LEU . 19.8 m-85 -68.02 -35.35 78.13 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 123.736 0.647 . . . . 73.44 110.434 176.234 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -70.82 -50.77 31.97 Favored 'General case' 0 C--N 1.347 0.468 0 CA-C-N 115.91 -0.586 . . . . 74.23 111.206 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.424 ' NH1' ' HB3' ' A' ' 46' ' ' GLU . 67.9 mtt180 -68.7 -29.84 68.36 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.501 -0.772 . . . . 72.43 110.589 -176.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.24 -51.23 67.05 Favored 'General case' 0 C--N 1.348 0.512 0 O-C-N 124.075 0.859 . . . . 73.21 109.427 168.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.6 -31.31 69.36 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.1 0.96 . . . . 73.53 112.011 -177.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.512 ' O ' ' HD3' ' A' ' 57' ' ' LYS . 93.6 mt -60.71 -53.75 44.65 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 C-N-CA 123.677 0.791 . . . . 73.43 109.64 174.455 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 46.4 t -63.56 -39.93 87.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 123.05 0.54 . . . . 72.11 110.749 -176.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -61.7 -43.34 99.04 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.202 0.601 . . . . 74.23 110.988 176.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -63.78 -45.97 87.31 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.871 0.869 . . . . 74.43 111.218 -179.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.512 ' HD3' ' O ' ' A' ' 53' ' ' ILE . 5.5 mptp? -55.51 -43.09 75.37 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.833 0.853 . . . . 71.5 111.671 173.253 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -80.86 -11.46 59.58 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 122.962 0.505 . . . . 74.45 111.709 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 64.54 28.46 13.36 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.139 1.376 . . . . 75.15 111.82 -177.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -80.98 83.73 6.62 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 108.198 -1.038 . . . . 72.22 108.198 173.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 10.8 p -56.21 -33.07 64.99 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.186 0.994 . . . . 74.02 113.293 174.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.428 ' O ' ' HG3' ' A' ' 66' ' ' ARG . 27.1 t70 -66.96 -50.78 61.24 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.116 0.566 . . . . 74.44 110.566 -177.318 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -67.37 -41.17 91.41 Favored Glycine 0 C--N 1.349 1.261 0 O-C-N 123.639 0.587 . . . . 72.31 112.22 176.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 44.1 tp -58.11 -37.26 74.22 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.586 1.154 . . . . 73.44 110.723 176.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -64.88 -50.78 65.21 Favored 'General case' 0 C--N 1.347 0.471 0 C-N-CA 124.274 1.03 . . . . 75.43 109.807 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.428 ' HG3' ' O ' ' A' ' 62' ' ' ASP . 81.6 mtt-85 -57.51 -45.97 84.35 Favored 'General case' 0 N--CA 1.475 0.775 0 O-C-N 124.335 1.022 . . . . 74.42 110.575 178.475 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.459 ' O ' ' HB2' ' A' ' 71' ' ' LEU . . . -67.67 -38.6 83.98 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.025 0.93 . . . . 70.14 111.522 -177.108 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.91 -43.2 68.78 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.582 0.753 . . . . 73.45 111.371 -178.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.547 ' HA ' ' HE2' ' A' ' 69' ' ' LYS . 10.7 mmpt? -65.51 -51.49 59.63 Favored 'General case' 0 C--N 1.347 0.461 0 CA-C-N 115.735 -0.666 . . . . 64.54 110.399 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 27.0 m -64.41 -29.81 70.86 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.953 0.901 . . . . 72.45 111.604 -178.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.516 HD12 ' HA ' ' A' ' 91' ' ' ALA . 1.0 OUTLIER -60.11 -48.41 81.85 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.413 0.685 . . . . 73.41 109.371 176.629 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -70.39 -34.18 72.27 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-N 115.422 -0.808 . . . . 73.52 111.614 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -70.21 -21.09 63.05 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.463 0.705 . . . . 73.04 110.458 176.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.424 ' O ' ' HB2' ' A' ' 41' ' ' ALA . . . -80.92 -35.51 32.28 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.299 0.639 . . . . 74.24 110.455 171.316 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.696 HG23 ' HD3' ' A' ' 88' ' ' LYS . 40.4 mm -60.71 -45.82 96.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 CA-C-O 120.941 0.401 . . . . 74.32 111.247 -178.486 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 14.8 t -66.71 -15.55 63.6 Favored 'General case' 0 CA--C 1.555 1.139 0 CA-C-N 115.553 -0.748 . . . . 65.41 111.566 -179.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -106.48 -3.37 20.99 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 123.938 0.895 . . . . 71.2 112.7 -178.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 86.1 mt . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 118.971 -0.538 . . . . 73.44 109.55 176.823 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 . . . . . 0 N--CA 1.481 1.096 0 CA-C-O 120.963 0.411 . . . . 64.23 111.547 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.551 ' HA ' ' HE2' ' A' ' 90' ' ' MET . . . -76.94 -26.13 53.68 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 115.814 -0.63 . . . . 73.02 111.802 179.518 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.696 ' HD3' HG23 ' A' ' 75' ' ' ILE . 28.6 tptp -65.56 -36.12 82.84 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.294 1.037 . . . . 75.24 111.105 -176.073 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -63.86 -37.71 88.4 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 122.877 0.471 . . . . 72.44 110.354 176.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.551 ' HE2' ' HA ' ' A' ' 87' ' ' ALA . 37.4 mtm -68.44 -38.56 81.27 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 115.345 -0.843 . . . . 73.44 110.499 177.038 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.516 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -62.12 -40.35 95.61 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.319 0.648 . . . . 72.25 110.226 176.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.511 ' O ' ' HG2' ' A' ' 96' ' ' GLU . 57.2 tttm -72.2 -33.42 67.62 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 123.921 0.763 . . . . 72.23 110.667 -178.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 59.1 mmtt -59.4 -47.63 84.71 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 122.804 0.442 . . . . 75.12 110.381 174.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.33 -32.96 73.8 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 115.281 -0.872 . . . . 75.02 111.487 177.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 91' ' ' ALA . 45.0 mt-10 -67.75 -42.63 81.51 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.37 0.668 . . . . 75.21 111.145 174.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.511 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 49.3 mm-40 -60.79 -46.77 89.19 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 123.812 0.695 . . . . 71.21 110.061 -178.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 44.4 m0 -63.18 -42.95 99.46 Favored 'General case' 0 C--N 1.345 0.406 0 O-C-N 124.507 1.13 . . . . 71.3 111.092 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 26.5 tp -62.93 -50.1 72.15 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 123.914 0.759 . . . . 74.34 111.167 -176.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -69.82 -32.48 70.93 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.211 0.604 . . . . 75.31 110.893 -178.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.75 -47.05 70.34 Favored 'General case' 0 C--O 1.244 0.815 0 C-N-CA 123.244 0.618 . . . . 71.54 111.419 -178.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 . . . . . 0 CA--C 1.541 0.614 0 O-C-N 123.315 0.384 . . . . 73.14 111.064 -177.29 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 27.6 mtm . . . . . 0 N--CA 1.47 0.569 0 N-CA-C 109.406 -0.59 . . . . 74.44 109.406 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.87 -59.98 4.9 Favored Glycine 0 C--N 1.346 1.13 0 N-CA-C 111.152 -0.779 . . . . 70.45 111.152 -174.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 60.2 ttt180 -53.74 -36.83 62.74 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.6 1.16 . . . . 74.21 111.09 170.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.74 -52.7 64.36 Favored 'General case' 0 CA--C 1.548 0.869 0 O-C-N 123.796 0.685 . . . . 72.33 111.17 178.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.576 HD21 HD12 ' A' ' 31' ' ' ILE . 24.3 mt -67.01 -32.39 73.58 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 122.457 0.303 . . . . 62.51 111.577 177.028 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -62.46 -43.27 99.23 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.139 0.576 . . . . 75.43 109.87 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.496 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 15.2 m120 -67.13 -35.33 79.5 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 115.521 -0.763 . . . . 73.55 110.903 178.49 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.576 HD12 HD21 ' A' ' 28' ' ' LEU . 94.5 mt -64.14 -39.81 86.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 C-N-CA 123.527 0.731 . . . . 65.42 109.575 175.433 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.42 -39.65 97.97 Favored Glycine 0 C--N 1.348 1.239 0 CA-C-N 115.067 -0.97 . . . . 73.43 112.512 176.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 98.3 mt -63.09 -43.43 98.52 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.498 0.719 . . . . 75.1 110.449 176.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.496 ' HG2' ' O ' ' A' ' 30' ' ' ASN . 9.4 mm-40 -61.13 -42.91 99.4 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.663 0.785 . . . . 73.13 111.044 178.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.468 ' HG2' ' HE2' ' A' ' 47' ' ' TYR . 3.0 mptp? -66.31 -45.18 81.25 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.057 0.943 . . . . 70.01 110.708 178.301 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -61.27 -38.36 86.47 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.695 0.798 . . . . 75.2 110.36 -178.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -62.65 -42.13 99.43 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.494 1.117 . . . . 75.12 109.625 177.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 67.1 mtm -85.06 12.67 7.26 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 123.631 0.772 . . . . 72.11 112.164 -178.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.2 -8.44 60.9 Favored Glycine 0 C--N 1.353 1.503 0 CA-C-O 119.979 -0.345 . . . . 75.32 113.877 176.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 39.1 mttm -77.83 69.0 4.0 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.375 1.07 . . . . 74.41 109.429 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.408 ' HA ' ' HB1' ' A' ' 44' ' ' ALA . . . -82.05 -17.67 45.89 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.497 0.719 . . . . 73.51 112.258 -172.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -64.94 -53.85 39.96 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 108.913 -0.773 . . . . 74.01 108.913 169.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -63.45 -38.86 92.77 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 114.894 -1.048 . . . . 75.32 110.453 177.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.408 ' HB1' ' HA ' ' A' ' 41' ' ' ALA . . . -57.06 -55.54 33.34 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.225 0.61 . . . . 70.11 110.797 -178.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.2 -32.81 71.44 Favored 'General case' 0 C--N 1.35 0.627 0 O-C-N 124.318 1.011 . . . . 75.34 111.401 179.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.417 ' HA ' ' HE3' ' A' ' 90' ' ' MET . 7.5 tm-20 -62.36 -50.02 73.24 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.366 1.066 . . . . 71.31 110.11 179.224 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.468 ' HE2' ' HG2' ' A' ' 35' ' ' LYS . 61.1 m-85 -72.08 -32.95 67.51 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 122.845 0.458 . . . . 73.11 111.685 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -64.41 -31.68 72.99 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 123.769 0.668 . . . . 75.23 110.275 176.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -69.99 -50.56 40.41 Favored 'General case' 0 C--N 1.345 0.376 0 O-C-N 124.162 0.913 . . . . 75.21 110.734 178.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.409 ' HG3' ' O ' ' A' ' 46' ' ' GLU . 77.1 mtp180 -60.15 -40.96 91.66 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.888 0.875 . . . . 74.4 110.148 179.262 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.93 -42.86 94.32 Favored 'General case' 0 C--N 1.345 0.407 0 CA-C-N 114.552 -1.204 . . . . 62.41 110.77 177.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.96 -38.03 89.44 Favored 'General case' 0 N--CA 1.482 1.166 0 O-C-N 123.986 0.804 . . . . 63.4 111.051 -177.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 87.6 mt -57.67 -41.71 79.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 123.982 0.913 . . . . 73.4 110.607 173.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.4 t -71.65 -43.8 70.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 123.204 0.602 . . . . 75.2 111.046 -177.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -65.75 -27.77 68.55 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-O 120.988 0.423 . . . . 74.4 111.075 177.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -74.04 -48.12 32.19 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.568 1.147 . . . . 75.23 111.719 177.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -68.41 -26.45 65.55 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 122.865 0.466 . . . . 71.52 111.686 178.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -85.28 -11.89 53.72 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.36 0.664 . . . . 72.31 111.145 173.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 63.73 21.74 12.8 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.099 1.359 . . . . 73.24 111.831 177.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -81.86 92.63 6.73 Favored 'General case' 0 C--O 1.238 0.476 0 N-CA-C 108.27 -1.011 . . . . 71.22 108.27 178.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 12.4 p -59.56 -36.19 75.71 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.996 0.918 . . . . 74.14 112.764 -175.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -60.65 -49.65 76.67 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 123.596 0.56 . . . . 72.11 110.685 -179.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -72.14 -32.67 62.78 Favored Glycine 0 C--N 1.343 0.932 0 O-C-N 124.303 1.002 . . . . 72.21 112.729 -179.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 63.6 tp -71.36 -37.08 71.66 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.694 0.798 . . . . 71.43 110.507 179.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 28.8 ttm-85 -71.95 -34.96 69.41 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.468 1.107 . . . . 75.3 109.829 176.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 30.0 ttm-85 -71.22 -40.48 71.09 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.161 1.384 . . . . 74.01 110.474 179.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.44 ' O ' ' HB2' ' A' ' 71' ' ' LEU . . . -75.59 -36.56 60.31 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 115.21 -0.905 . . . . 65.44 110.794 178.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.48 -45.43 87.38 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 123.923 0.765 . . . . 74.15 110.117 176.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.562 ' HA ' ' HE3' ' A' ' 72' ' ' LYS . 37.8 ttmt -55.54 -51.7 66.2 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 124.862 1.352 . . . . 74.0 110.872 178.436 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 37.1 m -73.61 -31.66 63.68 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 115.261 -0.881 . . . . 61.2 111.635 -176.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.44 ' HB2' ' O ' ' A' ' 67' ' ' ALA . 1.6 tt -64.53 -54.71 28.04 Favored 'General case' 0 N--CA 1.485 1.284 0 N-CA-C 108.962 -0.755 . . . . 74.31 108.962 -179.546 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.562 ' HE3' ' HA ' ' A' ' 69' ' ' LYS . 21.8 pttp -69.83 -34.41 73.62 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 115.43 -0.804 . . . . 75.32 111.888 -173.337 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -89.61 3.26 53.14 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.412 0.685 . . . . 63.35 111.28 178.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.449 ' O ' HG13 ' A' ' 78' ' ' ILE . . . -78.85 -27.86 44.19 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 109.709 -0.478 . . . . 73.23 109.709 165.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.454 HG23 ' HG2' ' A' ' 88' ' ' LYS . 2.0 mp -62.76 -39.74 85.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 C-N-CA 123.544 0.738 . . . . 73.23 111.004 178.041 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 38.0 p -67.24 -14.66 63.12 Favored 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 122.783 0.433 . . . . 73.0 111.639 177.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -100.16 -13.76 18.81 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 124.197 0.999 . . . . 64.42 111.935 176.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 74' ' ' ALA . 68.8 mt . . . . . 0 N--CA 1.492 1.627 0 C-N-CA 123.542 0.737 . . . . 75.42 110.917 -178.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 . . . . . 0 CA--C 1.547 0.844 0 CA-C-O 121.444 0.64 . . . . 73.31 111.028 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.611 ' HA ' ' HE2' ' A' ' 90' ' ' MET . . . -76.71 -25.98 54.19 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.258 -0.883 . . . . 65.21 112.266 179.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.454 ' HG2' HG23 ' A' ' 75' ' ' ILE . 4.8 tmtt? -63.29 -37.37 86.98 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.65 0.78 . . . . 75.23 110.597 -178.293 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -67.76 -32.72 73.51 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 115.015 -0.993 . . . . 74.34 111.275 179.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.611 ' HE2' ' HA ' ' A' ' 87' ' ' ALA . 45.0 mtm -69.62 -35.09 74.94 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.014 0.525 . . . . 74.13 110.559 176.35 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.68 -38.72 82.29 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 115.249 -0.887 . . . . 72.03 111.063 176.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.424 ' O ' ' HG2' ' A' ' 96' ' ' GLU . 90.5 mttt -56.58 -46.39 80.83 Favored 'General case' 0 C--N 1.359 1.014 0 O-C-N 124.186 0.929 . . . . 74.02 110.682 177.088 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 63.1 mmtt -56.37 -51.21 69.16 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 124.395 1.059 . . . . 71.43 111.311 -178.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.59 -36.07 79.63 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 123.898 0.749 . . . . 63.23 112.603 -176.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -73.13 -36.86 66.79 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.677 0.791 . . . . 73.1 110.669 177.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 60.2 mm-40 -69.32 -33.87 73.81 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.28 0.632 . . . . 72.42 111.024 178.53 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 37.9 m0 -71.22 -38.42 72.01 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 123.206 0.602 . . . . 75.23 110.439 176.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 44.8 tp -64.26 -39.96 95.01 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.28 0.632 . . . . 71.12 110.833 177.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -64.95 -44.73 88.48 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.16 0.584 . . . . 74.54 110.525 173.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.13 -34.41 77.54 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.744 0.818 . . . . 61.22 111.779 -177.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 . . . . . 0 CA--C 1.543 0.708 0 C-N-CA 123.173 0.589 . . . . 73.11 111.901 -177.656 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 3.5 mpp? . . . . . 0 CA--C 1.545 0.778 0 N-CA-C 110.251 -0.277 . . . . 63.44 110.251 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.39 -43.58 2.92 Favored Glycine 0 N--CA 1.481 1.684 0 N-CA-C 111.241 -0.744 . . . . 72.51 111.241 -172.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.2 ttm-85 -56.73 -39.01 73.16 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.255 1.422 . . . . 74.3 110.204 170.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.408 ' O ' HG13 ' A' ' 31' ' ' ILE . . . -64.72 -44.29 90.68 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 114.916 -1.038 . . . . 72.44 110.782 174.453 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.492 ' HA ' HD13 ' A' ' 31' ' ' ILE . 37.8 mt -57.45 -41.05 79.77 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.566 0.746 . . . . 72.24 111.142 176.781 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.43 ' OH ' ' HD2' ' A' ' 66' ' ' ARG . 44.4 t80 -61.95 -42.18 98.83 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-N 115.725 -0.67 . . . . 75.13 110.873 -179.042 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -63.95 -40.04 95.52 Favored 'General case' 0 N--CA 1.482 1.145 0 O-C-N 123.64 0.588 . . . . 75.05 110.972 177.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.492 HD13 ' HA ' ' A' ' 28' ' ' LEU . 89.0 mt -59.28 -43.21 89.4 Favored 'Isoleucine or valine' 0 C--N 1.355 0.845 0 C-N-CA 123.756 0.823 . . . . 71.5 109.698 176.651 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -61.88 -46.13 94.77 Favored Glycine 0 C--N 1.347 1.156 0 CA-C-N 115.168 -0.924 . . . . 71.12 113.09 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.4 mt -58.37 -38.28 76.94 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.285 0.634 . . . . 75.11 110.472 177.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -73.11 -33.01 65.3 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 124.156 0.982 . . . . 74.33 112.356 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.422 ' HA ' ' HE3' ' A' ' 38' ' ' MET . 71.5 mmtt -69.33 -45.73 68.76 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.104 0.562 . . . . 75.15 110.102 176.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -61.63 -35.32 77.57 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.48 1.112 . . . . 75.02 109.709 177.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.4 tmmm? -62.64 -36.87 84.23 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.86 1.264 . . . . 73.13 111.634 179.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.422 ' HE3' ' HA ' ' A' ' 35' ' ' LYS . 57.4 mtm -81.71 -18.8 43.11 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 123.027 0.531 . . . . 72.32 111.766 178.465 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 116.94 -25.94 8.62 Favored Glycine 0 C--N 1.343 0.924 0 CA-C-O 119.702 -0.499 . . . . 72.31 112.295 -178.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -76.33 74.12 3.11 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-O 122.113 0.959 . . . . 75.12 110.565 179.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -82.66 -6.39 59.35 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 114.468 -1.242 . . . . 75.23 111.688 -174.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 -72.88 -47.67 44.01 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.019 0.527 . . . . 74.42 110.494 173.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -60.12 -44.62 94.76 Favored 'General case' 0 C--N 1.355 0.837 0 O-C-N 123.742 0.651 . . . . 64.24 109.379 172.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.54 -47.64 69.81 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 124.33 1.019 . . . . 74.22 111.799 178.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.71 -38.08 77.53 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 124.623 1.202 . . . . 74.44 111.251 -178.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -64.65 -50.46 67.01 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 123.813 0.696 . . . . 75.31 110.667 175.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.413 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 62.6 m-85 -63.61 -32.01 73.36 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 122.84 0.456 . . . . 73.23 112.043 -177.006 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.428 ' HE2' ' HB2' ' A' ' 74' ' ' ALA . 21.4 m-85 -69.66 -42.54 74.08 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 123.57 0.544 . . . . 75.34 110.157 175.034 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -66.91 -46.99 73.15 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 115.487 -0.779 . . . . 74.34 111.524 -177.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.419 ' O ' HG21 ' A' ' 54' ' ' VAL . 60.4 mtp85 -72.9 -31.95 65.02 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.751 0.821 . . . . 73.51 110.208 -176.17 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.71 -47.0 85.49 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 109.18 -0.674 . . . . 75.13 109.18 170.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.27 -32.96 71.66 Favored 'General case' 0 N--CA 1.48 1.038 0 O-C-N 124.157 0.911 . . . . 74.51 111.658 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.512 HG21 ' HE2' ' A' ' 57' ' ' LYS . 97.6 mt -67.05 -48.92 77.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 123.552 0.741 . . . . 74.31 110.346 175.259 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.419 HG21 ' O ' ' A' ' 50' ' ' ARG . 75.0 t -60.8 -42.33 91.94 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 C-N-CA 122.906 0.482 . . . . 73.22 110.482 179.745 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -67.94 -36.36 79.99 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.311 0.644 . . . . 73.21 111.592 178.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -67.39 -39.92 85.63 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 123.34 0.4 . . . . 62.11 110.929 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.512 ' HE2' HG21 ' A' ' 53' ' ' ILE . 67.7 mttm -54.89 -43.53 73.28 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.823 0.849 . . . . 75.32 111.515 170.2 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -82.04 -8.45 59.66 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 115.818 -0.628 . . . . 73.31 111.143 178.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 60.22 25.18 14.56 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 125.561 1.545 . . . . 73.42 111.616 -179.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -80.04 92.58 5.62 Favored 'General case' 0 C--O 1.245 0.836 0 CA-C-N 114.6 -1.182 . . . . 71.42 108.228 177.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 16.5 p -63.31 -26.98 69.01 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 114.96 -1.018 . . . . 74.35 113.026 -174.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -69.41 -45.43 69.24 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 123.724 0.64 . . . . 74.5 110.636 -177.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -71.02 -39.53 63.24 Favored Glycine 0 C--N 1.343 0.945 0 CA-C-N 115.847 -0.615 . . . . 72.21 112.298 178.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 65.6 tp -59.57 -43.38 93.61 Favored 'General case' 0 CA--C 1.554 1.101 0 C-N-CA 124.323 1.049 . . . . 72.4 110.569 174.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -66.42 -42.95 86.98 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 125.296 1.439 . . . . 74.15 110.871 178.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.43 ' HD2' ' OH ' ' A' ' 29' ' ' TYR . 0.2 OUTLIER -65.0 -42.69 94.25 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.128 0.971 . . . . 75.34 110.174 -178.693 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.29 -41.23 70.25 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.153 0.981 . . . . 70.12 111.138 -177.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.43 -39.99 89.24 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.855 0.862 . . . . 73.41 111.296 178.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.9 tmtt? -61.24 -46.31 90.92 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.466 1.106 . . . . 74.3 110.032 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 43.5 m -76.15 -29.25 57.69 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 123.368 0.667 . . . . 72.15 112.35 179.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.495 HD23 ' HB3' ' A' ' 91' ' ' ALA . 1.2 tt -59.51 -52.34 65.97 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 123.763 0.825 . . . . 74.22 110.001 -176.101 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.471 ' HA ' HD12 ' A' ' 75' ' ' ILE . 14.4 ptmm? -61.87 -36.94 82.73 Favored 'General case' 0 CA--C 1.552 1.02 0 CA-C-N 115.242 -0.89 . . . . 74.54 111.827 -177.541 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -77.16 -23.72 51.59 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.775 0.83 . . . . 74.34 111.119 -178.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.428 ' HB2' ' HE2' ' A' ' 48' ' ' PHE . . . -69.15 -38.84 78.99 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.81 -0.632 . . . . 75.13 110.428 172.621 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.686 HD11 ' HA ' ' A' ' 88' ' ' LYS . 58.0 mt -65.32 -41.8 92.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 123.697 0.799 . . . . 72.04 111.745 -175.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 6.2 p -70.66 -14.76 62.59 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 115.813 -0.631 . . . . 72.42 111.696 175.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -99.69 -10.71 21.61 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 123.825 0.85 . . . . 62.34 112.304 176.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 65.5 mt . . . . . 0 N--CA 1.492 1.656 0 C-N-CA 122.933 0.493 . . . . 73.32 111.228 -178.37 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' A' ' 87' ' ' ALA . 8.4 pt-20 . . . . . 0 N--CA 1.489 1.488 0 CA-C-O 121.314 0.578 . . . . 75.45 111.092 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.614 ' HA ' ' HE2' ' A' ' 90' ' ' MET . . . -78.82 -27.14 44.28 Favored 'General case' 0 C--O 1.242 0.677 0 C-N-CA 124.283 1.033 . . . . 60.54 111.866 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.686 ' HA ' HD11 ' A' ' 75' ' ' ILE . 13.2 tmtt? -62.67 -47.59 83.02 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 123.62 0.768 . . . . 75.14 109.886 -179.087 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -57.51 -28.76 63.74 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 124.0 0.92 . . . . 74.25 112.252 -177.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.614 ' HE2' ' HA ' ' A' ' 87' ' ' ALA . 37.8 mtm -71.34 -35.28 71.11 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.573 0.749 . . . . 63.34 111.872 -178.572 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.495 ' HB3' HD23 ' A' ' 71' ' ' LEU . . . -63.67 -28.43 69.9 Favored 'General case' 0 N--CA 1.482 1.136 0 CA-C-O 119.549 -0.262 . . . . 51.3 111.477 178.55 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.492 ' O ' ' HG2' ' A' ' 96' ' ' GLU . 86.6 tttt -57.64 -48.8 78.46 Favored 'General case' 0 C--N 1.357 0.907 0 O-C-N 124.235 0.96 . . . . 74.31 109.154 173.511 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -61.74 -49.72 75.26 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 124.222 0.951 . . . . 73.34 111.29 -177.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.77 -32.53 70.68 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.2 0.6 . . . . 60.22 111.279 178.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.72 -40.19 56.03 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 123.56 0.744 . . . . 72.22 110.127 178.309 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.492 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 13.3 mm-40 -67.08 -35.81 80.64 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.498 0.719 . . . . 74.14 110.607 -179.737 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 40.8 m0 -67.5 -38.88 84.97 Favored 'General case' 0 C--N 1.347 0.473 0 CA-C-N 115.83 -0.623 . . . . 72.32 109.763 177.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 29.0 tp -63.68 -42.27 98.04 Favored 'General case' 0 CA--C 1.548 0.87 0 O-C-N 123.67 0.607 . . . . 63.33 110.332 176.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -64.89 -37.75 88.68 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.406 0.683 . . . . 73.32 111.502 176.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.84 -45.71 64.02 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.541 0.736 . . . . 64.24 110.804 -177.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 . . . . . 0 N--CA 1.471 0.623 0 CA-C-N 115.131 -0.94 . . . . 73.51 110.905 -179.962 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 18.8 ptp . . . . . 0 CA--C 1.55 0.947 0 N-CA-C 112.141 0.423 . . . . 74.22 112.141 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.59 -46.24 2.55 Favored Glycine 0 C--N 1.364 2.123 0 C-N-CA 122.753 0.215 . . . . 73.14 112.816 179.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 70.4 mtt180 -60.19 -25.93 65.96 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.643 1.177 . . . . 71.15 111.917 -177.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.424 ' O ' HG13 ' A' ' 31' ' ' ILE . . . -68.03 -36.35 79.78 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 122.777 0.431 . . . . 74.11 111.777 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.455 ' O ' ' HB3' ' A' ' 47' ' ' TYR . 41.7 mt -61.04 -45.37 95.04 Favored 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 109.943 -0.392 . . . . 72.12 109.943 173.028 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -53.59 -38.02 63.52 Favored 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 124.109 0.963 . . . . 72.32 110.863 178.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -65.19 -41.86 94.17 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.609 0.763 . . . . 72.0 111.273 176.571 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 27' ' ' ALA . 22.3 mt -64.99 -33.48 64.0 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 C-N-CA 123.466 0.707 . . . . 75.23 109.835 178.504 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.406 ' HA2' ' HA ' ' A' ' 44' ' ' ALA . . . -61.95 -47.24 91.35 Favored Glycine 0 C--N 1.353 1.495 0 CA-C-N 115.113 -0.949 . . . . 64.13 111.998 175.259 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.0 mt -58.87 -36.72 75.09 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.721 0.808 . . . . 75.14 111.371 176.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -69.93 -44.91 68.62 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.612 0.765 . . . . 75.42 112.014 -178.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.509 ' HA ' ' HE2' ' A' ' 38' ' ' MET . 48.2 mttp -72.57 -27.68 62.34 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 122.544 0.338 . . . . 71.52 111.809 179.513 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -66.09 -28.42 68.81 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.443 0.697 . . . . 73.33 111.037 178.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -64.49 -33.17 75.26 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.84 0.856 . . . . 75.53 111.113 176.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.509 ' HE2' ' HA ' ' A' ' 35' ' ' LYS . 70.0 mtm -82.09 1.9 33.79 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.608 0.763 . . . . 74.05 111.469 177.443 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.94 4.27 90.33 Favored Glycine 0 C--N 1.349 1.275 0 C-N-CA 123.062 0.363 . . . . 62.42 112.706 -177.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -84.94 73.57 10.65 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-O 121.58 0.705 . . . . 73.04 109.124 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.21 -23.24 57.58 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 114.508 -1.224 . . . . 75.41 111.448 -177.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -72.18 -50.14 29.98 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 108.868 -0.79 . . . . 75.25 108.868 176.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.3 mp0 -64.01 -34.17 77.4 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 114.321 -1.309 . . . . 75.21 109.535 178.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.406 ' HA ' ' HA2' ' A' ' 32' ' ' GLY . . . -65.37 -43.48 90.6 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.963 0.905 . . . . 61.53 110.865 172.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.31 -30.29 71.34 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.137 0.975 . . . . 75.11 111.409 -178.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.51 ' HA ' ' HE3' ' A' ' 90' ' ' MET . 80.5 mm-40 -56.97 -47.89 79.68 Favored 'General case' 0 C--N 1.353 0.723 0 O-C-N 123.954 0.784 . . . . 74.34 110.412 173.042 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.494 ' HE2' ' HD2' ' A' ' 35' ' ' LYS . 65.9 m-85 -74.09 -32.87 63.43 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.574 -0.739 . . . . 75.15 112.285 -176.664 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -69.77 -32.39 70.87 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 123.562 0.539 . . . . 74.25 110.623 175.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -75.59 -49.98 16.94 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.719 0.808 . . . . 75.21 111.648 178.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.471 ' O ' HG21 ' A' ' 54' ' ' VAL . 80.0 mtt-85 -71.52 -29.23 64.54 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 115.624 -0.716 . . . . 74.25 110.276 -175.065 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.14 -41.81 76.81 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 109.636 -0.505 . . . . 75.52 109.636 168.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.3 -31.67 71.51 Favored 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 123.372 0.669 . . . . 75.24 111.714 178.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 93.1 mt -62.81 -48.83 86.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 123.854 0.861 . . . . 64.15 109.663 172.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.471 HG21 ' O ' ' A' ' 50' ' ' ARG . 52.5 t -60.44 -42.73 92.18 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 C-N-CA 123.299 0.64 . . . . 73.34 110.708 -179.08 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -67.98 -41.69 81.95 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 115.344 -0.844 . . . . 73.21 110.774 179.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -65.89 -47.09 76.01 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.665 0.786 . . . . 75.22 111.749 -178.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -55.1 -37.38 66.76 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.515 0.726 . . . . 75.31 110.997 174.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -87.9 -10.69 49.91 Favored 'General case' 0 CA--C 1.551 0.987 0 CA-C-N 115.781 -0.645 . . . . 74.54 111.473 -178.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 70.05 37.43 1.71 Allowed 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 125.354 1.462 . . . . 75.52 113.236 176.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -80.09 103.54 10.04 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.086 0.954 . . . . 61.11 109.044 168.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.3 p -62.43 -48.39 79.88 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 122.775 0.43 . . . . 74.04 111.248 173.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -69.68 -36.81 76.31 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 123.99 0.806 . . . . 73.31 111.308 -177.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -65.58 -50.78 52.76 Favored Glycine 0 C--N 1.353 1.497 0 O-C-N 123.466 0.479 . . . . 73.21 112.242 176.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 65.2 tp -60.26 -39.98 88.72 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.449 1.1 . . . . 75.33 110.779 177.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.7 ttt180 -62.07 -46.0 91.06 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.576 1.15 . . . . 61.25 110.958 177.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.43 -43.53 80.95 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 115.915 -0.584 . . . . 61.4 110.002 -176.468 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.412 ' O ' ' HB2' ' A' ' 71' ' ' LEU . . . -70.13 -36.32 74.69 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.719 0.808 . . . . 71.5 111.393 -179.278 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -73.27 -38.16 66.02 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.697 0.799 . . . . 64.35 111.202 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.401 ' O ' ' HG2' ' A' ' 73' ' ' GLU . 64.3 tttt -71.54 -40.78 69.83 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 115.754 -0.657 . . . . 73.02 110.073 -178.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 40.6 m -68.55 -30.36 69.13 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.7 0.8 . . . . 74.34 111.16 174.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.496 ' O ' HG12 ' A' ' 75' ' ' ILE . 0.6 OUTLIER -62.09 -43.95 97.72 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 115.384 -0.825 . . . . 74.05 108.818 175.147 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -65.75 -38.74 89.93 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.75 0.82 . . . . 75.45 111.455 178.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' A' ' 69' ' ' LYS . 12.4 mm-40 -62.01 -31.65 72.05 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.114 0.565 . . . . 73.02 110.739 174.631 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.471 ' O ' HG13 ' A' ' 78' ' ' ILE . . . -72.25 -43.41 64.38 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 115.738 -0.664 . . . . 74.05 110.527 174.203 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.496 HG12 ' O ' ' A' ' 71' ' ' LEU . 32.8 mm -59.78 -44.19 93.38 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.051 0 C-N-CA 123.398 0.679 . . . . 55.11 111.264 -174.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 22.3 p -67.83 -14.29 62.83 Favored 'General case' 0 CA--C 1.551 1.004 0 CA-C-N 115.656 -0.702 . . . . 73.1 112.152 -179.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -104.83 -12.46 16.27 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.934 0.894 . . . . 71.51 112.093 174.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' ' 74' ' ' ALA . 92.6 mt . . . . . 0 N--CA 1.484 1.246 0 C-N-CA 123.396 0.678 . . . . 72.31 109.321 173.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 . . . . . 0 CA--C 1.54 0.568 0 N-CA-C 108.505 -0.924 . . . . 71.02 108.505 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.537 ' HA ' ' HE2' ' A' ' 90' ' ' MET . . . -72.85 -28.54 62.59 Favored 'General case' 0 C--N 1.35 0.627 0 C-N-CA 123.738 0.815 . . . . 71.21 112.252 -172.293 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -65.01 -38.99 92.75 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.879 0.872 . . . . 71.31 109.588 178.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.8 mp0 -73.85 -30.65 62.78 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 114.936 -1.029 . . . . 72.13 110.543 176.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.537 ' HE2' ' HA ' ' A' ' 87' ' ' ALA . 32.8 mtm -67.66 -34.81 77.68 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.018 0.527 . . . . 74.33 110.776 173.614 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.474 ' HA ' HD13 ' A' ' 71' ' ' LEU . . . -66.34 -34.67 78.5 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.42 0.688 . . . . 73.3 110.308 174.732 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.536 ' O ' ' HG2' ' A' ' 96' ' ' GLU . 18.7 mmtt -70.3 -37.34 74.76 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-N 114.928 -1.033 . . . . 71.13 110.899 174.677 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.591 ' HA ' ' HE2' ' A' ' 93' ' ' LYS . 8.8 mmpt? -58.27 -52.7 64.47 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 122.773 0.429 . . . . 73.4 110.681 178.361 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.04 -30.06 71.3 Favored 'General case' 0 CA--C 1.546 0.815 0 O-C-N 124.271 0.982 . . . . 61.21 111.806 179.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.436 ' O ' ' HG3' ' A' ' 99' ' ' GLN . 4.4 tm-20 -71.36 -44.09 65.69 Favored 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 123.965 0.906 . . . . 71.2 110.096 178.181 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.536 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 28.5 mm-40 -63.68 -41.01 98.21 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.76 0.824 . . . . 75.44 111.021 177.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 52.1 m0 -61.77 -45.23 94.8 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.054 -0.976 . . . . 73.32 110.313 178.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 34.5 tp -60.61 -32.67 71.8 Favored 'General case' 0 CA--C 1.547 0.843 0 O-C-N 124.176 0.923 . . . . 73.11 111.345 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.436 ' HG3' ' O ' ' A' ' 95' ' ' GLU . 70.3 mt-30 -64.44 -48.96 73.36 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.04 0.536 . . . . 75.42 110.498 176.028 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.05 -29.68 68.71 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 115.836 -0.62 . . . . 75.25 111.656 -178.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 . . . . . 0 N--CA 1.478 0.952 0 C-N-CA 123.781 0.833 . . . . 65.05 112.318 178.565 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 9.5 ptp . . . . . 0 N--CA 1.478 0.929 0 N-CA-C 110.096 -0.335 . . . . 74.42 110.096 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.04 -55.94 3.94 Favored Glycine 0 C--N 1.348 1.247 0 C-N-CA 123.096 0.379 . . . . 72.43 113.321 -177.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 62.5 mtp180 -55.06 -42.14 72.37 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.785 1.234 . . . . 74.52 111.383 178.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.52 -41.27 94.05 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 123.958 0.786 . . . . 74.53 111.063 178.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.406 ' O ' ' HB3' ' A' ' 47' ' ' TYR . 54.1 mt -62.44 -48.35 80.06 Favored 'General case' 0 N--CA 1.484 1.226 0 O-C-N 123.634 0.584 . . . . 73.31 110.559 175.33 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -50.86 -45.08 59.68 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.586 1.154 . . . . 75.33 111.624 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 -65.08 -36.72 85.23 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.178 0.591 . . . . 75.45 111.785 179.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 67.3 mt -65.01 -37.05 79.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 122.861 0.464 . . . . 74.01 109.917 174.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -61.27 -42.11 99.69 Favored Glycine 0 C--N 1.349 1.294 0 CA-C-N 115.257 -0.883 . . . . 72.22 112.223 178.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 88.8 mt -57.94 -47.17 83.69 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.278 0.631 . . . . 74.33 110.134 176.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -57.61 -44.05 85.18 Favored 'General case' 0 CA--C 1.547 0.836 0 O-C-N 124.499 1.124 . . . . 72.11 111.858 177.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 44.6 mmtm -63.88 -46.68 83.83 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.458 0.703 . . . . 75.51 110.869 179.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -62.71 -37.7 87.53 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 124.402 1.064 . . . . 73.44 110.853 -175.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -70.02 -29.9 67.07 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 115.645 -0.707 . . . . 71.33 111.532 177.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 73.0 mtm -79.54 -2.05 40.51 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 122.826 0.451 . . . . 74.34 111.46 174.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.98 -4.89 84.88 Favored Glycine 0 C--N 1.352 1.454 0 C-N-CA 122.897 0.284 . . . . 71.12 112.862 -178.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -90.16 54.9 2.92 Favored 'General case' 0 C--O 1.238 0.495 0 C-N-CA 124.294 1.037 . . . . 75.51 110.103 -177.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.34 -15.83 63.41 Favored 'General case' 0 C--N 1.348 0.535 0 CA-C-N 114.454 -1.248 . . . . 62.3 111.98 -177.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.85 -52.02 64.74 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 108.575 -0.898 . . . . 73.15 108.575 175.422 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.439 ' O ' ' HB2' ' A' ' 46' ' ' GLU . 8.2 mp0 -69.63 -34.88 74.67 Favored 'General case' 0 C--O 1.217 -0.653 0 CA-C-N 115.02 -0.991 . . . . 74.02 110.333 176.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.01 -41.88 79.3 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 122.836 0.454 . . . . 64.11 111.03 176.143 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.83 -29.99 71.13 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 124.193 0.933 . . . . 74.21 111.691 179.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.439 ' HB2' ' O ' ' A' ' 43' ' ' GLU . 40.0 mm-40 -60.1 -52.75 64.0 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 123.611 0.569 . . . . 74.01 110.086 171.168 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.406 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 93.6 m-85 -65.77 -36.44 83.56 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.465 0.706 . . . . 75.44 111.821 -175.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -72.78 -32.25 65.46 Favored 'General case' 0 N--CA 1.479 0.976 0 O-C-N 123.664 0.603 . . . . 73.03 110.765 178.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.565 ' HE1' ' HB2' ' A' ' 93' ' ' LYS . 44.9 t80 -71.94 -50.55 28.0 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.002 0.521 . . . . 73.02 110.49 178.035 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 76.8 mtp180 -64.32 -37.07 86.19 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 124.049 0.843 . . . . 75.13 110.537 -178.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.08 -46.59 86.72 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 123.797 0.686 . . . . 75.02 109.656 173.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.8 -34.84 75.13 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 123.838 0.711 . . . . 74.24 111.502 -179.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.41 HG13 ' O ' ' A' ' 49' ' ' PHE . 68.7 mt -60.35 -50.44 80.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 C-N-CA 123.212 0.605 . . . . 71.43 109.598 173.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 72.1 t -61.82 -44.41 98.77 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.165 0 C-N-CA 124.03 0.932 . . . . 71.14 111.598 -177.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -67.4 -30.59 70.4 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.284 0.633 . . . . 72.23 111.211 178.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -69.72 -41.93 74.68 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.663 0.785 . . . . 74.2 111.01 176.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -60.16 -35.97 76.52 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.334 0.654 . . . . 71.34 111.196 172.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -85.09 -11.11 55.97 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 122.909 0.484 . . . . 63.31 112.014 176.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 81.6 m-70 60.78 25.67 15.51 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.307 1.043 . . . . 73.14 112.135 178.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -81.22 101.09 9.48 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.217 1.007 . . . . 72.22 108.355 176.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.41 HG21 ' HB3' ' A' ' 101' ' ' GLU . 18.0 p -59.86 -35.78 75.49 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.348 1.059 . . . . 74.11 112.029 -177.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -69.05 -50.8 45.3 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.428 0.691 . . . . 74.41 110.745 -175.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -70.85 -36.64 65.83 Favored Glycine 0 C--N 1.347 1.164 0 O-C-N 123.769 0.668 . . . . 74.45 113.11 179.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 65.6 tp -60.52 -47.28 86.86 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.766 0.826 . . . . 73.54 110.037 176.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 56.3 ttp180 -71.93 -29.03 63.87 Favored 'General case' 0 N--CA 1.476 0.873 0 O-C-N 124.474 1.109 . . . . 73.45 110.91 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -66.37 -49.58 66.4 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.014 0.526 . . . . 74.42 110.1 177.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.419 ' O ' ' HB2' ' A' ' 71' ' ' LEU . . . -74.03 -30.93 62.67 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.131 -0.941 . . . . 64.32 110.971 179.721 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.09 -44.47 76.17 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.115 0.566 . . . . 75.13 110.812 176.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.467 ' HA ' ' HE3' ' A' ' 72' ' ' LYS . 16.0 tppt? -60.3 -53.68 54.72 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 124.045 0.84 . . . . 74.05 109.45 177.181 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.1 t -64.55 -30.1 71.13 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 124.64 1.212 . . . . 61.52 111.039 -175.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.435 HD21 ' HB3' ' A' ' 91' ' ' ALA . 0.9 OUTLIER -60.34 -52.04 66.96 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.73 0.812 . . . . 75.2 108.922 173.768 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.501 ' HZ1' ' HB2' ' A' ' 72' ' ' LYS . 8.9 mtmp? -66.83 -37.2 84.05 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.649 0.78 . . . . 74.51 111.615 -177.067 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 69' ' ' LYS . 9.9 mm-40 -74.82 -24.3 58.6 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 109.962 -0.385 . . . . 64.51 109.962 179.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.493 ' O ' HG13 ' A' ' 78' ' ' ILE . . . -70.32 -37.67 74.77 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-O 119.017 -0.516 . . . . 73.12 109.941 171.426 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.419 HG12 ' O ' ' A' ' 71' ' ' LEU . 37.2 mm -53.68 -44.49 58.55 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 C-N-CA 123.931 0.892 . . . . 75.34 112.5 -173.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 11.9 t -69.52 -30.44 68.28 Favored 'General case' 0 CA--C 1.551 1.006 0 O-C-N 123.268 0.355 . . . . 73.42 110.71 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -85.22 -8.54 58.51 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.035 0.934 . . . . 74.22 111.828 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.493 HG13 ' O ' ' A' ' 74' ' ' ALA . 38.1 mt . . . . . 0 N--CA 1.484 1.241 0 C-N-CA 123.724 0.81 . . . . 74.51 111.337 -179.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.27 0 N-CA-C 111.769 0.285 . . . . 75.23 111.769 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.547 ' HA ' ' HE3' ' A' ' 90' ' ' MET . . . -75.43 -34.34 60.99 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 112.038 0.385 . . . . 73.34 112.038 -176.767 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.402 ' HG2' ' HZ2' ' A' ' 92' ' ' LYS . 53.8 tttm -63.35 -29.45 70.76 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.345 0.658 . . . . 75.31 110.208 176.043 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.571 ' HA ' ' HD3' ' A' ' 92' ' ' LYS . 6.5 mm-40 -73.28 -39.41 65.38 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.71 0.804 . . . . 74.33 110.502 178.733 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.547 ' HE3' ' HA ' ' A' ' 87' ' ' ALA . 47.0 mtm -63.66 -34.0 76.87 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 116.054 -0.521 . . . . 75.03 110.738 174.812 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.435 ' HB3' HD21 ' A' ' 71' ' ' LEU . . . -61.34 -26.89 68.11 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 115.523 -0.762 . . . . 60.44 111.792 177.213 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.571 ' HD3' ' HA ' ' A' ' 89' ' ' GLU . 14.1 mptt -60.95 -43.05 99.25 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 123.215 0.322 . . . . 73.15 110.592 173.02 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.565 ' HB2' ' HE1' ' A' ' 49' ' ' PHE . 73.4 mmtt -59.6 -46.64 88.37 Favored 'General case' 0 N--CA 1.48 1.046 0 O-C-N 123.713 0.633 . . . . 70.21 110.175 -179.128 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.46 -32.35 68.65 Favored 'General case' 0 CA--C 1.548 0.903 0 O-C-N 124.431 1.082 . . . . 74.41 111.855 178.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.415 ' O ' ' HG3' ' A' ' 99' ' ' GLN . 48.1 mt-10 -72.12 -47.86 48.01 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.523 0.729 . . . . 71.53 110.28 174.589 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 32.3 mm-40 -60.86 -37.65 82.86 Favored 'General case' 0 N--CA 1.483 1.189 0 O-C-N 123.996 0.81 . . . . 75.31 111.446 -175.164 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 29.5 m0 -68.82 -43.45 75.55 Favored 'General case' 0 C--O 1.224 -0.249 0 O-C-N 124.192 0.932 . . . . 72.5 110.193 177.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 52.6 tp -61.9 -43.71 98.28 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 123.56 0.537 . . . . 75.02 110.828 179.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.415 ' HG3' ' O ' ' A' ' 95' ' ' GLU . 74.8 mt-30 -67.7 -30.69 70.27 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.656 0.782 . . . . 65.52 110.655 -179.49 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -69.85 -41.63 74.64 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.483 0.713 . . . . 73.25 110.755 175.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.41 ' HB3' HG21 ' A' ' 61' ' ' THR . 61.5 mm-40 . . . . . 0 N--CA 1.474 0.749 0 C-N-CA 123.524 0.73 . . . . 72.21 111.681 -178.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 11.4 mtm . . . . . 0 CA--C 1.542 0.649 0 N-CA-C 109.58 -0.526 . . . . 74.43 109.58 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.77 -44.66 1.49 Allowed Glycine 0 N--CA 1.468 0.798 0 N-CA-C 109.544 -1.422 . . . . 74.2 109.544 -170.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.3 tpp180 -59.88 -40.44 88.69 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 124.136 0.975 . . . . 74.43 109.631 174.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.29 -43.21 78.63 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.069 0.948 . . . . 74.45 111.417 176.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.527 HD22 HD12 ' A' ' 31' ' ' ILE . 36.5 mt -65.07 -45.71 84.21 Favored 'General case' 0 C--N 1.361 1.077 0 O-C-N 123.482 0.488 . . . . 75.22 110.854 178.381 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.402 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 78.5 t80 -52.74 -42.17 64.69 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.04 0.936 . . . . 75.1 110.625 175.163 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.42 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 18.8 m120 -73.1 -31.15 64.16 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 123.671 0.788 . . . . 74.0 112.696 -177.66 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.527 HD12 HD22 ' A' ' 28' ' ' LEU . 73.4 mt -65.95 -38.82 82.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 N-CA-C 109.189 -0.671 . . . . 74.03 109.189 172.185 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.473 ' HA2' ' HA ' ' A' ' 44' ' ' ALA . . . -61.03 -40.28 98.28 Favored Glycine 0 C--N 1.349 1.275 0 CA-C-N 114.289 -1.323 . . . . 72.44 112.042 175.461 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 29' ' ' TYR . 83.0 mt -59.79 -41.67 91.68 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.088 0.555 . . . . 72.32 110.726 177.627 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' A' ' 30' ' ' ASN . 14.9 mm-40 -72.25 -38.88 68.79 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.17 0.588 . . . . 73.1 112.106 -175.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -77.12 -32.79 56.71 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 111.445 0.165 . . . . 71.0 111.445 -179.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -67.94 -33.11 74.05 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 109.419 -0.586 . . . . 73.23 109.419 173.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -65.82 -36.34 83.21 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 125.154 1.381 . . . . 75.23 110.652 175.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 68.9 mtm -91.61 10.15 29.25 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.606 0.762 . . . . 72.4 111.62 178.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 92.73 -15.64 62.12 Favored Glycine 0 C--N 1.357 1.696 0 N-CA-C 114.395 0.518 . . . . 73.05 114.395 171.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 40.2 mtmt -84.35 70.05 10.57 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 123.752 0.821 . . . . 74.33 109.741 -177.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.48 -15.03 61.33 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 114.881 -1.054 . . . . 74.23 112.776 -173.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.4 ttp180 -71.53 -53.14 14.81 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.324 0.649 . . . . 75.53 111.112 176.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -59.17 -44.0 92.13 Favored 'General case' 0 N--CA 1.48 1.075 0 O-C-N 123.787 0.679 . . . . 74.33 109.456 175.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.473 ' HA ' ' HA2' ' A' ' 32' ' ' GLY . . . -53.73 -45.12 70.4 Favored 'General case' 0 C--N 1.346 0.414 0 CA-C-N 114.197 -1.365 . . . . 74.23 111.636 178.22 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.42 -38.01 85.57 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 124.223 0.952 . . . . 62.33 111.899 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -64.48 -39.03 93.03 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.172 0.589 . . . . 74.4 110.689 177.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.491 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 55.2 m-85 -71.46 -35.73 70.96 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.17 0.588 . . . . 75.21 112.015 -179.743 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.416 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 23.3 m-85 -65.88 -38.83 89.82 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 123.698 0.623 . . . . 74.23 110.146 174.063 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -64.18 -51.55 63.22 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.4 0.68 . . . . 75.32 110.92 178.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -61.02 -37.41 82.44 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.756 0.823 . . . . 74.21 110.845 179.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.47 -49.57 77.05 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 115.332 -0.849 . . . . 73.04 109.794 175.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.33 -31.42 71.28 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 114.8 -1.091 . . . . 71.41 111.901 -177.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.415 HG22 ' HE3' ' A' ' 57' ' ' LYS . 87.9 mt -59.07 -48.65 86.02 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 C-N-CA 123.748 0.819 . . . . 74.1 110.458 174.178 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 40.1 t -66.93 -41.16 87.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 123.732 0.813 . . . . 72.14 110.228 -177.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -72.77 -26.68 61.63 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 111.94 0.348 . . . . 74.53 111.94 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -70.49 -49.25 50.37 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 122.944 0.497 . . . . 73.02 111.211 177.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.415 ' HE3' HG22 ' A' ' 53' ' ' ILE . 17.0 ptpt -66.94 -28.13 68.04 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.156 0.582 . . . . 73.24 112.274 178.049 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.34 -11.53 56.18 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 122.841 0.456 . . . . 71.33 111.219 171.285 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 59.24 27.94 17.12 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 124.671 1.188 . . . . 71.03 111.535 -177.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -79.49 89.83 5.06 Favored 'General case' 0 C--N 1.349 0.581 0 N-CA-C 108.095 -1.076 . . . . 73.25 108.095 174.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 55.8 p -60.96 -26.38 67.49 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 114.628 -1.169 . . . . 75.54 112.028 -175.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.461 ' O ' ' HG2' ' A' ' 66' ' ' ARG . 8.6 t70 -61.7 -61.92 2.17 Favored 'General case' 0 C--N 1.353 0.752 0 O-C-N 123.727 0.642 . . . . 73.21 110.716 178.058 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -69.48 -33.66 72.72 Favored Glycine 0 C--N 1.348 1.207 0 O-C-N 124.037 0.835 . . . . 54.52 112.616 -173.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 65.1 tp -61.91 -43.75 98.2 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.022 0.929 . . . . 75.0 110.02 174.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 21.5 ttt180 -71.7 -34.97 70.06 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 115.642 -0.708 . . . . 75.15 110.606 178.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.461 ' HG2' ' O ' ' A' ' 62' ' ' ASP . 30.6 mmt180 -60.31 -48.36 82.06 Favored 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 109.565 -0.532 . . . . 74.44 109.565 176.592 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' A' ' 48' ' ' PHE . . . -66.42 -44.43 82.94 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 114.915 -1.039 . . . . 74.22 111.491 -177.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.81 -40.53 91.97 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.758 0.823 . . . . 74.24 112.225 -179.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -72.28 -39.81 68.06 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.538 1.135 . . . . 74.01 109.68 -178.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 20.8 t -72.22 -30.3 64.78 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.644 0.778 . . . . 71.11 110.57 178.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.454 HD13 ' HA ' ' A' ' 91' ' ' ALA . 4.3 mt -60.72 -53.71 54.05 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.156 0.982 . . . . 73.44 111.097 177.508 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -58.45 -39.92 81.19 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 123.58 0.752 . . . . 74.15 111.419 -177.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -73.04 -32.2 64.91 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 115.846 -0.615 . . . . 74.33 110.758 177.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.524 ' O ' HG13 ' A' ' 78' ' ' ILE . . . -65.44 -31.81 73.1 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 116.283 -0.417 . . . . 75.53 110.496 175.383 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.426 HG12 ' O ' ' A' ' 71' ' ' LEU . 17.1 mm -66.29 -49.8 73.03 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 C-N-CA 123.233 0.613 . . . . 73.03 111.037 -177.091 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.0 t -67.68 -17.08 64.46 Favored 'General case' 0 CA--C 1.551 1.001 0 CA-C-N 116.019 -0.537 . . . . 74.42 110.767 176.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.39 -16.39 29.19 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.022 0.929 . . . . 75.42 112.428 177.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.524 HG13 ' O ' ' A' ' 74' ' ' ALA . 64.7 mt . . . . . 0 N--CA 1.484 1.232 0 N-CA-C 108.847 -0.797 . . . . 75.34 108.847 176.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 . . . . . 0 N--CA 1.477 0.914 0 CA-C-O 121.167 0.508 . . . . 61.54 109.873 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.563 ' HA ' ' HE2' ' A' ' 90' ' ' MET . . . -77.08 -27.99 54.41 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.522 -0.763 . . . . 74.1 111.864 -172.029 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -69.86 -29.66 66.95 Favored 'General case' 0 CA--C 1.547 0.83 0 O-C-N 123.381 0.425 . . . . 55.04 110.51 178.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -66.87 -34.36 77.62 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.782 0.833 . . . . 70.33 110.534 174.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.563 ' HE2' ' HA ' ' A' ' 87' ' ' ALA . 50.2 mtm -74.8 -34.62 62.44 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.845 0.858 . . . . 73.22 110.438 176.194 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.454 ' HA ' HD13 ' A' ' 71' ' ' LEU . . . -61.17 -40.91 95.67 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 124.053 0.846 . . . . 74.43 110.514 174.665 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.466 ' O ' ' HG2' ' A' ' 96' ' ' GLU . 29.2 mmtp -71.81 -39.47 69.81 Favored 'General case' 0 C--O 1.216 -0.68 0 CA-C-N 115.064 -0.971 . . . . 73.13 111.21 176.693 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.3 mmtm -56.11 -49.76 72.96 Favored 'General case' 0 N--CA 1.494 1.728 0 C-N-CA 123.452 0.701 . . . . 72.55 111.31 178.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.468 ' HA ' ' CE3' ' A' ' 97' ' ' TRP . . . -67.7 -32.14 72.59 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.212 0.605 . . . . 75.53 111.792 179.341 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.24 -35.18 68.77 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 123.414 0.685 . . . . 71.33 109.866 178.222 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.466 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 13.2 mm-40 -70.43 -31.62 68.88 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.513 0.725 . . . . 73.44 110.234 178.375 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . 0.468 ' CE3' ' HA ' ' A' ' 94' ' ' ALA . 38.0 m0 -68.97 -38.13 79.2 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 123.698 0.624 . . . . 72.22 110.297 173.351 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 48.0 tp -64.0 -42.51 97.15 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 123.539 0.524 . . . . 75.52 110.155 176.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 -67.17 -29.88 69.7 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.568 0.747 . . . . 74.11 111.123 177.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.01 -42.57 84.73 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.372 0.669 . . . . 72.13 110.656 175.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 . . . . . 0 N--CA 1.475 0.795 0 C-N-CA 123.561 0.744 . . . . 74.41 110.98 178.137 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 3.8 mpp? . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 113.52 0.933 . . . . 75.23 113.52 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -50.34 -39.64 36.34 Favored Glycine 0 N--CA 1.483 1.828 0 N-CA-C 115.893 1.117 . . . . 71.1 115.893 -168.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 51.7 mtp180 -73.03 -27.16 61.61 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.167 0.587 . . . . 75.12 112.153 -179.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.469 ' O ' HG13 ' A' ' 31' ' ' ILE . . . -59.28 -46.68 87.88 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 122.83 0.452 . . . . 74.42 110.887 -179.6 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.588 HD21 HD13 ' A' ' 31' ' ' ILE . 12.6 mt -60.22 -39.14 85.57 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 123.574 0.546 . . . . 74.21 111.262 175.666 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -59.54 -41.05 89.19 Favored 'General case' 0 CA--C 1.547 0.851 0 O-C-N 123.894 0.746 . . . . 74.4 110.632 177.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 62.1 m-80 -67.59 -34.97 78.09 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.017 0.527 . . . . 74.4 111.729 178.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.588 HD13 HD21 ' A' ' 28' ' ' LEU . 50.7 mt -67.24 -38.42 80.96 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.215 0 CA-C-O 121.442 0.639 . . . . 74.44 109.739 178.597 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.89 -46.92 92.58 Favored Glycine 0 C--N 1.349 1.263 0 CA-C-N 114.791 -1.095 . . . . 71.04 111.831 174.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 91.1 mt -57.62 -36.08 71.32 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.65 0.78 . . . . 75.12 111.581 179.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -62.42 -51.75 66.3 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.648 0.779 . . . . 70.41 111.791 178.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.459 ' HB3' ' HB2' ' A' ' 40' ' ' LYS . 89.5 mttt -71.33 -37.66 71.72 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 122.801 0.441 . . . . 75.33 111.602 -178.21 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -60.67 -41.4 94.99 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.969 0.907 . . . . 75.22 110.273 179.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 48.9 tttm -67.9 -29.59 68.72 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 125.3 1.44 . . . . 74.01 111.264 178.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 71.3 mtm -87.09 0.91 54.49 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 123.366 0.666 . . . . 71.43 111.804 174.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 92.3 -9.46 76.15 Favored Glycine 0 C--N 1.353 1.496 0 C-N-CA 123.048 0.356 . . . . 63.51 113.814 178.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.459 ' HB2' ' HB3' ' A' ' 35' ' ' LYS . 58.3 mttm -78.45 64.78 3.6 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.531 1.132 . . . . 75.42 109.72 176.639 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.11 -20.02 46.02 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.632 0.773 . . . . 73.41 112.389 -170.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? -69.41 -46.39 66.96 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 108.795 -0.816 . . . . 73.42 108.795 172.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -64.78 -41.38 95.88 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 114.532 -1.213 . . . . 74.05 110.61 178.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.18 -44.22 87.9 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 124.403 1.081 . . . . 75.44 111.513 176.132 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.62 -33.75 68.57 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 124.62 1.2 . . . . 74.42 111.944 -178.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -63.17 -47.36 82.98 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 124.003 0.921 . . . . 72.55 110.713 177.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.455 ' HE2' ' HD2' ' A' ' 35' ' ' LYS . 86.0 m-85 -69.88 -36.4 75.42 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 115.559 -0.746 . . . . 71.1 111.377 -178.136 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.48 ' HB2' ' HG ' ' A' ' 71' ' ' LEU . 20.4 m-85 -66.95 -34.12 77.06 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 123.892 0.745 . . . . 74.32 110.765 176.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -70.27 -51.98 26.39 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 123.701 0.626 . . . . 74.22 111.202 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.413 ' O ' HG22 ' A' ' 54' ' ' VAL . 99.5 mtt180 -62.55 -38.16 88.97 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 124.101 0.876 . . . . 74.53 110.368 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.2 -45.42 93.21 Favored 'General case' 0 C--N 1.354 0.775 0 O-C-N 123.796 0.685 . . . . 75.4 110.03 173.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.61 -36.0 81.36 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.733 0.813 . . . . 62.34 112.037 -178.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 98.0 mt -60.32 -41.99 89.14 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 C-N-CA 123.751 0.82 . . . . 72.22 110.118 174.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.413 HG22 ' O ' ' A' ' 50' ' ' ARG . 49.5 t -73.65 -35.05 43.18 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 CA-C-N 115.234 -0.894 . . . . 74.15 110.777 -178.484 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -70.95 -28.56 64.56 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.247 0.619 . . . . 75.33 111.217 175.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.409 ' CD1' ' HB3' ' A' ' 97' ' ' TRP . 34.5 t80 -77.26 -47.51 19.94 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.31 0.644 . . . . 74.44 111.584 -178.308 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.607 ' HZ2' ' HB3' ' A' ' 57' ' ' LYS . 0.5 OUTLIER -61.0 -34.93 75.58 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.003 0.521 . . . . 74.42 112.325 176.934 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -84.27 -11.93 55.57 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 122.566 0.347 . . . . 74.12 110.817 175.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 63.81 33.85 12.39 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 125.534 1.534 . . . . 74.24 112.363 177.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -80.79 93.1 6.16 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 108.371 -0.974 . . . . 74.5 108.371 175.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.408 HG21 ' HB3' ' A' ' 101' ' ' GLU . 6.9 p -54.63 -39.47 67.97 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.156 0.982 . . . . 72.22 112.869 -178.376 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -62.25 -54.08 45.87 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.859 0.724 . . . . 75.45 111.087 -179.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -73.08 -34.54 58.36 Favored Glycine 0 C--N 1.342 0.887 0 O-C-N 124.265 0.978 . . . . 64.43 113.113 -173.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.506 HD22 ' HG3' ' A' ' 101' ' ' GLU . 51.4 tp -64.28 -45.54 87.57 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.282 0.633 . . . . 74.44 109.919 175.437 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.46 ' O ' ' HG2' ' A' ' 69' ' ' LYS . 43.3 ttt-85 -60.05 -41.94 93.4 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 124.19 0.931 . . . . 73.24 110.759 173.112 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.0 ttt180 -65.15 -42.09 94.12 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.517 1.127 . . . . 75.12 110.15 -174.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.523 ' O ' ' HB2' ' A' ' 71' ' ' LEU . . . -75.04 -34.39 61.85 Favored 'General case' 0 C--N 1.346 0.448 0 CA-C-N 114.493 -1.231 . . . . 74.22 110.727 178.093 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.8 -47.66 68.48 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.08 0.952 . . . . 73.11 112.058 -177.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.46 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 70.2 mmtt -68.1 -48.23 66.06 Favored 'General case' 0 C--O 1.22 -0.498 0 CA-C-N 115.303 -0.862 . . . . 75.32 109.99 179.706 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 13.6 t -63.71 -29.93 71.09 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.384 0.673 . . . . 53.02 111.333 -178.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.523 ' HB2' ' O ' ' A' ' 67' ' ' ALA . 0.9 OUTLIER -63.27 -51.9 64.26 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.959 0.904 . . . . 72.52 108.732 173.638 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.7 ttpp -66.07 -31.81 72.91 Favored 'General case' 0 CA--C 1.552 1.043 0 CA-C-N 114.611 -1.177 . . . . 75.42 111.397 -177.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.46 ' HG2' ' O ' ' A' ' 69' ' ' LYS . 23.9 mm-40 -74.67 -30.41 61.57 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.455 0.702 . . . . 71.03 109.845 176.346 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.424 ' O ' HG13 ' A' ' 78' ' ' ILE . . . -68.99 -34.54 75.47 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 116.068 -0.514 . . . . 61.44 110.209 174.334 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.416 HG12 ' O ' ' A' ' 71' ' ' LEU . 23.5 mm -62.92 -46.36 96.53 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 C-N-CA 123.032 0.533 . . . . 63.34 112.022 -176.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 14.7 t -71.16 -15.21 62.48 Favored 'General case' 0 CA--C 1.551 0.987 0 CA-C-N 115.798 -0.637 . . . . 64.43 111.211 179.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -100.89 0.26 38.12 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 124.113 0.965 . . . . 64.43 112.149 177.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 74' ' ' ALA . 62.8 mt . . . . . 0 N--CA 1.486 1.333 0 C-N-CA 122.986 0.514 . . . . 75.34 109.902 176.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.904 0 CA-C-O 120.765 0.316 . . . . 73.15 111.303 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.465 ' HA ' ' HE2' ' A' ' 90' ' ' MET . . . -71.46 -27.88 63.57 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.241 -0.436 . . . . 74.21 110.493 176.416 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.467 ' O ' ' HG3' ' A' ' 92' ' ' LYS . 77.5 tttt -72.84 -30.35 63.95 Favored 'General case' 0 C--O 1.214 -0.8 0 CA-C-N 116.314 -0.403 . . . . 73.55 110.807 177.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -53.75 -37.36 63.32 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.192 0.597 . . . . 70.42 110.238 174.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.465 ' HE2' ' HA ' ' A' ' 87' ' ' ALA . 49.3 mtm -67.57 -40.57 84.89 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 114.5 -1.227 . . . . 74.34 110.968 177.287 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.446 ' HA ' HD13 ' A' ' 71' ' ' LEU . . . -62.55 -44.09 97.21 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.294 0.637 . . . . 74.31 110.331 175.506 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.51 ' O ' ' HG2' ' A' ' 96' ' ' GLU . 83.3 mttt -60.31 -42.12 94.9 Favored 'General case' 0 C--N 1.352 0.708 0 O-C-N 124.353 1.033 . . . . 74.44 109.906 179.625 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 67.6 mmtt -57.99 -50.86 71.94 Favored 'General case' 0 N--CA 1.482 1.166 0 O-C-N 124.478 1.111 . . . . 73.22 111.014 178.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.64 -33.12 74.39 Favored 'General case' 0 CA--C 1.547 0.846 0 O-C-N 124.219 0.949 . . . . 73.41 111.435 -179.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -73.68 -38.19 65.0 Favored 'General case' 0 CA--C 1.55 0.97 0 CA-C-N 115.348 -0.842 . . . . 73.54 110.86 174.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.51 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 32.8 mm-40 -60.7 -47.19 87.38 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 123.78 0.832 . . . . 71.23 110.065 179.352 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . 0.522 ' O ' ' HG2' ' A' ' 101' ' ' GLU . 39.0 m0 -62.09 -44.32 96.91 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-N 114.023 -1.444 . . . . 71.54 110.119 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 54.3 tp -59.24 -45.98 89.71 Favored 'General case' 0 CA--C 1.549 0.92 0 O-C-N 124.245 0.966 . . . . 73.42 111.875 179.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -61.25 -35.5 77.44 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 123.882 0.873 . . . . 71.33 110.929 177.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -75.06 -30.99 61.15 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 115.095 -0.957 . . . . 71.22 111.096 179.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.522 ' HG2' ' O ' ' A' ' 97' ' ' TRP . 16.9 mm-40 . . . . . 0 N--CA 1.477 0.895 0 C-N-CA 123.794 0.837 . . . . 73.34 111.074 176.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 3.6 mpp? . . . . . 0 N--CA 1.478 0.935 0 CA-C-O 121.302 0.572 . . . . 73.14 112.042 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.8 -56.45 2.6 Favored Glycine 0 C--N 1.348 1.195 0 N-CA-C 110.18 -1.168 . . . . 64.15 110.18 -171.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.404 ' HA ' ' HZ ' ' A' ' 55' ' ' PHE . 39.7 ttm180 -57.69 -35.14 70.2 Favored 'General case' 0 C--N 1.35 0.615 0 C-N-CA 123.571 0.748 . . . . 74.43 111.051 178.062 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.44 -54.2 46.55 Favored 'General case' 0 C--N 1.354 0.782 0 O-C-N 123.809 0.693 . . . . 72.22 110.339 178.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.515 HD12 ' HB2' ' A' ' 50' ' ' ARG . 27.8 mt -58.07 -36.32 72.64 Favored 'General case' 0 C--N 1.359 0.998 0 O-C-N 123.315 0.384 . . . . 71.14 111.506 -178.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -61.04 -53.69 54.07 Favored 'General case' 0 CA--C 1.559 1.301 0 C-N-CA 123.295 0.638 . . . . 75.44 110.685 176.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -65.58 -43.61 89.22 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.337 0.655 . . . . 74.53 111.959 -174.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.484 HG22 ' HE2' ' A' ' 35' ' ' LYS . 20.2 mt -69.95 -35.75 65.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 123.8 0.84 . . . . 75.32 109.45 179.341 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -60.91 -38.29 95.16 Favored Glycine 0 C--N 1.351 1.388 0 CA-C-N 115.445 -0.798 . . . . 73.54 112.73 179.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.6 mt -59.14 -39.14 81.47 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.333 0.653 . . . . 72.31 110.722 174.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -66.67 -39.08 88.0 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.675 0.79 . . . . 73.05 111.864 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.484 ' HE2' HG22 ' A' ' 31' ' ' ILE . 4.8 mptp? -62.06 -49.94 73.97 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.194 0.598 . . . . 74.53 109.89 173.052 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -58.21 -39.71 79.7 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 124.479 1.112 . . . . 74.52 110.851 -176.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.1 ttpp -58.56 -37.3 75.45 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.722 1.209 . . . . 64.4 112.463 179.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 54.1 mtm -84.18 -17.06 41.2 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 122.607 0.363 . . . . 64.45 111.871 -179.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 105.86 10.4 30.56 Favored Glycine 0 C--N 1.341 0.858 0 O-C-N 123.537 0.523 . . . . 73.43 112.88 -176.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -83.66 57.03 3.87 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 108.165 -1.05 . . . . 63.13 108.165 171.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.454 ' HB1' ' O ' ' A' ' 74' ' ' ALA . . . -74.0 -27.92 61.2 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.635 0.774 . . . . 74.13 111.789 -169.348 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.419 HH11 ' HB3' ' A' ' 87' ' ' ALA . 27.4 tpt180 -64.83 -52.47 56.55 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.678 0.791 . . . . 75.43 109.907 172.025 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -66.15 -32.26 73.6 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.058 -0.974 . . . . 75.31 110.855 -178.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.7 -44.86 76.71 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 123.585 0.754 . . . . 62.31 110.594 178.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.23 -36.58 78.04 Favored 'General case' 0 C--N 1.349 0.576 0 O-C-N 124.28 0.988 . . . . 73.11 111.092 -179.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -57.55 -49.34 76.69 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.681 0.793 . . . . 72.02 110.516 173.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.468 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 3.5 m-85 -61.46 -45.87 92.43 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 115.093 -0.958 . . . . 74.23 111.519 -178.487 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.502 ' HB2' ' HG ' ' A' ' 71' ' ' LEU . 27.3 m-85 -66.04 -31.53 72.47 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 122.955 0.502 . . . . 73.14 111.653 -179.167 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -71.67 -52.15 19.36 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.486 0.714 . . . . 74.31 111.109 -179.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.515 ' HB2' HD12 ' A' ' 28' ' ' LEU . 44.9 mtt180 -67.34 -30.83 70.75 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 115.335 -0.848 . . . . 72.34 110.155 -178.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.48 -48.3 80.22 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 115.266 -0.879 . . . . 73.04 109.667 171.281 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.57 -30.93 71.97 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 124.432 1.083 . . . . 65.13 111.832 -178.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 80.2 mt -60.91 -44.42 97.86 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 C-N-CA 123.535 0.734 . . . . 73.53 110.53 173.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 47.5 t -70.03 -43.44 79.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 123.062 0.545 . . . . 74.02 110.074 178.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.404 ' HZ ' ' HA ' ' A' ' 26' ' ' ARG . 26.0 m-85 -64.1 -28.54 69.85 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.098 0.559 . . . . 75.03 111.632 179.24 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -72.45 -53.99 10.58 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.272 0.629 . . . . 62.14 111.0 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -66.25 -32.0 73.16 Favored 'General case' 0 N--CA 1.484 1.263 0 CA-C-N 116.308 -0.406 . . . . 71.14 111.509 179.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -86.36 -2.12 58.14 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 122.883 0.473 . . . . 74.41 111.099 175.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 57.68 27.07 13.76 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 124.735 1.214 . . . . 75.11 112.298 173.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -81.98 83.43 7.26 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.91 1.284 . . . . 65.13 108.488 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.67 HG21 ' HB3' ' A' ' 101' ' ' GLU . 25.7 p -55.64 -35.74 66.25 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.794 1.238 . . . . 71.41 112.414 -179.119 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -56.47 -54.39 46.25 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.753 1.221 . . . . 72.14 111.251 179.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -76.03 -39.09 33.57 Favored Glycine 0 C--N 1.344 1.004 0 CA-C-N 115.234 -0.894 . . . . 70.32 112.708 -177.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 44.2 tp -61.93 -41.86 98.43 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.478 0.711 . . . . 74.12 110.982 -178.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -65.94 -45.73 80.79 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.892 0.877 . . . . 73.3 110.531 -178.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -74.58 -30.09 61.58 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 114.93 -1.032 . . . . 73.34 110.866 -176.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.427 ' O ' ' HB2' ' A' ' 71' ' ' LEU . . . -75.23 -32.17 61.05 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.378 0.671 . . . . 60.24 110.467 176.006 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.65 -40.79 84.52 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.709 0.804 . . . . 74.3 110.324 175.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 23.4 mmmt -58.36 -53.22 60.8 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 114.599 -1.182 . . . . 75.55 110.904 172.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 62.4 m -68.09 -29.51 68.47 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.124 0.569 . . . . 73.41 112.142 -177.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.502 ' HG ' ' HB2' ' A' ' 48' ' ' PHE . 0.6 OUTLIER -63.68 -54.97 27.26 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.652 0.781 . . . . 64.21 109.555 -178.379 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -68.66 -35.21 76.94 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 115.87 -0.605 . . . . 74.42 112.149 -175.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -75.49 -23.74 56.81 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.274 0.63 . . . . 74.4 111.259 -178.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.454 ' O ' ' HB1' ' A' ' 41' ' ' ALA . . . -75.06 -35.91 61.82 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 122.69 0.396 . . . . 65.22 110.499 170.391 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.719 HD12 ' HA ' ' A' ' 88' ' ' LYS . 81.7 mt -71.47 -38.0 66.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 123.33 0.652 . . . . 74.52 112.076 -178.646 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 41.2 p -69.39 -16.81 63.59 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 116.533 -0.303 . . . . 73.54 110.843 174.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -85.68 -20.43 29.41 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.291 0.636 . . . . 72.42 111.435 173.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 28.2 mt . . . . . 0 N--CA 1.482 1.171 0 N-CA-C 107.767 -1.197 . . . . 73.14 107.767 170.358 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 . . . . . 0 N--CA 1.484 1.265 0 N-CA-C 111.774 0.287 . . . . 64.22 111.774 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.419 ' HB3' HH11 ' A' ' 42' ' ' ARG . . . -66.33 -24.34 66.51 Favored 'General case' 0 C--N 1.353 0.748 0 C-N-CA 122.816 0.447 . . . . 71.43 111.341 175.185 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.719 ' HA ' HD12 ' A' ' 75' ' ' ILE . 14.1 tmtt? -59.27 -33.61 71.26 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.42 1.088 . . . . 75.24 112.314 -172.226 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -61.21 -31.7 71.47 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.914 0.885 . . . . 73.44 111.74 178.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 50.0 mtm -65.07 -33.53 76.27 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.347 0.659 . . . . 72.1 111.931 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.522 ' HB1' HD13 ' A' ' 75' ' ' ILE . . . -58.02 -48.05 81.21 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 123.52 0.512 . . . . 73.32 110.327 173.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.453 ' O ' ' HG2' ' A' ' 96' ' ' GLU . 86.9 tttt -58.59 -43.2 89.43 Favored 'General case' 0 C--N 1.355 0.84 0 O-C-N 124.221 0.95 . . . . 74.43 110.776 176.762 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt -56.08 -51.54 67.49 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 124.276 0.985 . . . . 74.22 111.504 -178.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.62 -31.93 72.87 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 123.882 0.739 . . . . 75.32 111.944 -178.069 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -75.92 -37.35 58.84 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.804 0.842 . . . . 73.34 111.287 178.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.453 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 52.6 mm-40 -63.18 -41.55 99.24 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-O 121.461 0.648 . . . . 73.5 109.662 177.263 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 50.4 m0 -64.78 -42.23 95.25 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 114.256 -1.338 . . . . 64.55 110.487 175.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 42.3 tp -63.05 -31.46 72.61 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 124.218 0.949 . . . . 64.13 111.498 -178.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -67.15 -49.06 66.12 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 122.906 0.482 . . . . 72.32 110.259 174.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.39 64.18 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.26 0.624 . . . . 73.34 111.868 179.095 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.67 ' HB3' HG21 ' A' ' 61' ' ' THR . 76.2 mm-40 . . . . . 0 CA--C 1.544 0.723 0 CA-C-N 115.349 -0.841 . . . . 74.52 112.068 177.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 28.4 mtm . . . . . 0 CA--C 1.544 0.712 0 N-CA-C 109.09 -0.708 . . . . 75.33 109.09 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.17 -37.09 3.66 Favored Glycine 0 N--CA 1.473 1.101 0 N-CA-C 111.796 -0.522 . . . . 72.3 111.796 178.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.446 ' HA ' ' HZ ' ' A' ' 55' ' ' PHE . 73.8 ttt180 -68.13 -38.0 81.73 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.552 0.741 . . . . 64.34 109.496 174.103 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.404 ' O ' HG13 ' A' ' 31' ' ' ILE . . . -59.64 -43.19 93.95 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-N 115.369 -0.832 . . . . 74.3 111.101 173.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.28 -41.8 85.16 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 124.487 1.115 . . . . 74.54 110.462 -178.654 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -57.83 -41.62 82.66 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 114.999 -1.0 . . . . 74.13 111.401 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.405 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 40.5 m-80 -67.03 -40.07 87.15 Favored 'General case' 0 N--CA 1.484 1.267 0 O-C-N 123.171 0.295 . . . . 72.21 111.208 177.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.404 HG13 ' O ' ' A' ' 27' ' ' ALA . 51.2 mt -57.21 -45.98 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 C-N-CA 123.474 0.71 . . . . 73.11 110.301 179.421 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.63 -40.71 98.91 Favored Glycine 0 C--N 1.345 1.046 0 CA-C-N 114.292 -1.322 . . . . 55.22 112.811 179.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.2 mt -57.45 -51.29 70.04 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.233 0.613 . . . . 73.42 110.184 178.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 30' ' ' ASN . 23.0 mm-40 -64.2 -36.54 84.4 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 124.069 0.855 . . . . 75.34 111.65 -176.314 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -64.87 -48.04 75.71 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.07 0.548 . . . . 74.41 111.421 175.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -60.48 -32.96 71.92 Favored 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 123.413 0.685 . . . . 75.45 111.092 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -69.34 -26.07 64.51 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.125 0.97 . . . . 65.5 112.187 178.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 27.7 mtm -90.68 -14.9 31.33 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 122.678 0.391 . . . . 71.44 111.446 176.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 105.01 7.81 37.61 Favored Glycine 0 C--N 1.345 1.053 0 CA-C-N 116.614 -0.266 . . . . 72.4 113.165 -176.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.9 mmpt? -90.59 45.88 1.29 Allowed 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.95 0.9 . . . . 72.32 109.588 176.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.43 -23.66 65.56 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.354 1.061 . . . . 74.15 111.93 -176.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.5 tpt85 -62.06 -50.42 72.05 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.796 0.838 . . . . 74.13 110.36 174.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -62.83 -47.27 84.14 Favored 'General case' 0 C--N 1.35 0.623 0 O-C-N 123.776 0.672 . . . . 75.15 109.362 174.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.64 -37.43 68.2 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.012 -0.995 . . . . 75.35 112.148 -176.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.17 -48.39 80.27 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 123.441 0.463 . . . . 75.45 111.012 178.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -58.47 -34.24 70.67 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.851 0.86 . . . . 72.15 110.964 175.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 3.1 m-30 -76.6 -37.95 55.59 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.504 1.122 . . . . 74.02 112.24 -174.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -76.26 -25.19 54.7 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 122.26 0.224 . . . . 74.4 110.623 176.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.44 ' CD1' ' HB3' ' A' ' 90' ' ' MET . 65.4 t80 -68.29 -51.36 45.8 Favored 'General case' 0 CA--C 1.537 0.466 0 O-C-N 123.699 0.625 . . . . 72.44 110.087 174.04 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.402 ' O ' HG23 ' A' ' 54' ' ' VAL . 57.3 mtt180 -59.6 -45.43 91.94 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 115.379 -0.828 . . . . 74.43 110.966 176.74 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.08 -44.88 91.94 Favored 'General case' 0 C--N 1.356 0.858 0 O-C-N 123.518 0.511 . . . . 72.34 110.026 177.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.51 -38.66 78.16 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 123.993 0.808 . . . . 63.41 111.679 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 74.2 mt -64.54 -44.73 96.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 O-C-N 123.439 0.462 . . . . 73.31 110.9 176.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 50' ' ' ARG . 61.4 t -63.05 -45.9 97.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 C-N-CA 122.991 0.516 . . . . 70.33 111.012 -177.391 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.446 ' HZ ' ' HA ' ' A' ' 26' ' ' ARG . 46.7 m-85 -65.71 -46.3 79.46 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.074 0.549 . . . . 74.42 110.863 178.466 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -58.92 -37.7 77.27 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.815 0.846 . . . . 75.13 112.005 176.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 46.0 tptt -67.35 -31.96 72.58 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 124.18 0.992 . . . . 73.21 110.903 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -88.07 -9.15 54.24 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.517 0.727 . . . . 74.5 111.446 172.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 68.13 22.91 8.15 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.886 1.274 . . . . 75.11 111.753 -178.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -79.27 95.95 5.81 Favored 'General case' 0 C--O 1.241 0.609 0 N-CA-C 108.453 -0.943 . . . . 61.44 108.453 177.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.604 HG21 ' HB3' ' A' ' 101' ' ' GLU . 28.7 p -61.38 -38.27 86.42 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 114.526 -1.215 . . . . 72.5 112.672 -172.408 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -71.72 -38.34 70.51 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 123.488 0.492 . . . . 75.24 111.337 -173.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -69.38 -44.21 66.17 Favored Glycine 0 C--N 1.339 0.7 0 N-CA-C 111.668 -0.573 . . . . 53.0 111.668 177.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 55.7 tp -59.39 -37.8 78.89 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.135 0.974 . . . . 75.12 110.604 175.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -65.81 -43.72 87.78 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.084 1.354 . . . . 75.33 110.782 178.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -66.87 -42.38 85.74 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.237 -0.892 . . . . 73.13 110.659 178.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -72.26 -30.58 64.99 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.02 0.928 . . . . 64.25 111.273 -177.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.04 -49.11 48.38 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.813 0.845 . . . . 64.34 111.826 -178.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -67.0 -42.45 84.98 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 115.482 -0.781 . . . . 75.32 110.829 174.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.3 t -65.79 -28.77 69.26 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 122.625 0.37 . . . . 73.04 111.175 -178.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.16 -53.81 54.06 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.642 0.777 . . . . 73.44 109.315 177.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.478 ' HA ' HD12 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -70.59 -27.07 63.83 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 116.247 -0.433 . . . . 74.44 111.994 -179.645 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -65.06 -33.85 77.02 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.467 0.707 . . . . 74.34 111.285 173.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.11 -47.16 62.97 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 109.732 -0.47 . . . . 73.32 109.732 171.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.691 HD11 ' HA ' ' A' ' 88' ' ' LYS . 78.3 mt -60.57 -44.56 96.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 124.191 0.996 . . . . 73.22 113.58 -174.803 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 14.6 t -69.75 -19.33 63.53 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 116.325 -0.398 . . . . 75.45 110.371 179.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -96.17 -11.37 26.27 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 123.99 0.916 . . . . 74.33 112.234 177.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 69.4 mt . . . . . 0 N--CA 1.488 1.436 0 N-CA-C 108.786 -0.82 . . . . 71.44 108.786 174.839 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 . . . . . 0 N--CA 1.484 1.254 0 CA-C-O 120.67 0.271 . . . . 72.22 110.653 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.511 ' HA ' ' HE2' ' A' ' 90' ' ' MET . . . -67.13 -39.58 86.62 Favored 'General case' 0 C--N 1.348 0.503 0 CA-C-N 115.698 -0.683 . . . . 74.31 110.623 175.64 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.691 ' HA ' HD11 ' A' ' 75' ' ' ILE . 11.1 tmtt? -61.84 -37.16 83.44 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 123.968 0.907 . . . . 75.45 110.131 178.672 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -67.12 -29.97 69.85 Favored 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 124.485 1.114 . . . . 64.33 111.018 -178.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.511 ' HE2' ' HA ' ' A' ' 87' ' ' ALA . 41.6 mtm -67.73 -32.72 73.54 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.722 0.809 . . . . 71.41 112.926 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -53.7 -33.37 55.28 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.049 0.54 . . . . 75.43 111.709 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.44 -39.55 92.19 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.357 0.663 . . . . 72.12 110.907 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.412 ' HB2' ' HE1' ' A' ' 49' ' ' PHE . 28.5 mmtp -59.7 -52.29 66.13 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 123.651 0.595 . . . . 74.14 111.381 -178.525 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.412 ' HA ' ' CE3' ' A' ' 97' ' ' TRP . . . -60.68 -32.24 71.46 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 124.155 0.909 . . . . 74.34 111.837 -177.581 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.459 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 8.1 mm-40 -75.96 -39.89 55.08 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.808 0.843 . . . . 74.22 111.927 176.508 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -68.83 -35.17 76.64 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 122.849 0.459 . . . . 73.53 110.84 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . 0.412 ' CE3' ' HA ' ' A' ' 94' ' ' ALA . 41.4 m0 -61.9 -46.56 88.86 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.148 -0.933 . . . . 71.21 109.2 172.19 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 32.5 tp -63.24 -37.85 88.86 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 123.723 0.809 . . . . 65.34 111.82 -178.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.459 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 12.0 mm100 -68.95 -39.82 79.28 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 122.998 0.519 . . . . 74.05 110.849 179.064 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.92 -28.2 61.41 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 115.875 -0.602 . . . . 60.31 111.147 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.604 ' HB3' HG21 ' A' ' 61' ' ' THR . 71.5 mm-40 . . . . . 0 N--CA 1.474 0.738 0 C-N-CA 123.466 0.706 . . . . 73.25 110.974 175.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 26.7 mtm . . . . . 0 CA--C 1.545 0.782 0 N-CA-C 109.838 -0.43 . . . . 75.03 109.838 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.76 -60.02 4.8 Favored Glycine 0 C--N 1.347 1.153 0 C-N-CA 123.498 0.57 . . . . 70.41 111.897 -170.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.41 ' O ' ' HB3' ' A' ' 29' ' ' TYR . 29.9 ttt85 -61.21 -31.45 71.22 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.033 1.333 . . . . 74.22 111.537 -177.203 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.34 -46.57 76.37 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 118.42 -0.8 . . . . 73.11 110.67 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.471 HD21 ' HD1' ' A' ' 47' ' ' TYR . 20.5 mt -59.73 -32.09 70.22 Favored 'General case' 0 N--CA 1.499 1.975 0 CA-C-N 118.416 0.553 . . . . 72.22 110.997 173.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.41 ' HB3' ' O ' ' A' ' 26' ' ' ARG . 74.0 t80 -62.54 -48.28 80.21 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 123.346 0.658 . . . . 72.43 110.273 176.651 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 -64.96 -37.37 87.41 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 123.216 0.606 . . . . 72.11 111.349 179.082 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 90.1 mt -64.72 -43.37 96.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 123.704 0.802 . . . . 72.31 109.664 177.024 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.36 -38.53 96.43 Favored Glycine 0 C--N 1.345 1.049 0 O-C-N 123.907 0.754 . . . . 64.44 112.07 178.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 89.6 mt -57.57 -42.23 82.68 Favored 'General case' 0 C--N 1.357 0.893 0 C-N-CA 123.361 0.664 . . . . 64.5 110.34 177.08 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -57.86 -48.36 80.02 Favored 'General case' 0 N--CA 1.478 0.972 0 O-C-N 123.931 0.769 . . . . 74.25 111.054 177.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.522 ' HE3' ' CE2' ' A' ' 47' ' ' TYR . 5.0 mptp? -59.68 -49.78 76.42 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.226 0.61 . . . . 73.01 110.489 178.557 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -59.47 -43.34 93.25 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.228 1.011 . . . . 71.15 110.973 -173.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -69.51 -27.38 65.13 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.922 0.889 . . . . 74.42 111.908 -178.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.41 ' HE3' ' HD2' ' A' ' 40' ' ' LYS . 76.5 mtm -89.98 -11.13 42.55 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.08 0.552 . . . . 64.41 111.849 178.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 95.58 4.23 60.77 Favored Glycine 0 N--CA 1.471 1.023 0 O-C-N 122.881 0.113 . . . . 64.32 113.067 -179.182 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.41 ' HD2' ' HE3' ' A' ' 38' ' ' MET . 61.9 mttm -85.57 38.94 0.76 Allowed 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 124.247 1.019 . . . . 75.24 109.852 175.4 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.97 -15.77 63.09 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.212 1.005 . . . . 43.41 113.187 -164.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.425 ' HB2' HG21 ' A' ' 78' ' ' ILE . 8.6 tpt180 -64.58 -46.28 83.41 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 122.848 0.459 . . . . 71.43 109.94 173.566 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -69.43 -39.55 77.77 Favored 'General case' 0 C--N 1.345 0.404 0 CA-C-N 115.97 -0.559 . . . . 74.14 109.694 176.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.34 -44.17 68.26 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.955 0.902 . . . . 73.44 111.15 178.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.3 -39.52 79.57 Favored 'General case' 0 C--N 1.349 0.579 0 O-C-N 124.557 1.16 . . . . 74.52 110.953 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -63.31 -44.53 94.7 Favored 'General case' 0 C--N 1.362 1.135 0 C-N-CA 123.783 0.833 . . . . 73.31 110.728 176.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.522 ' CE2' ' HE3' ' A' ' 35' ' ' LYS . 65.9 m-85 -66.2 -43.12 87.7 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.588 0.755 . . . . 72.32 111.774 -178.045 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.412 ' HB2' ' HG ' ' A' ' 71' ' ' LEU . 25.9 m-85 -67.83 -31.56 71.5 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 123.877 0.736 . . . . 74.02 110.704 177.723 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.435 ' O ' HG13 ' A' ' 53' ' ' ILE . 36.5 t80 -68.18 -52.7 31.52 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.034 0.934 . . . . 73.22 110.575 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 68.7 mtt180 -67.49 -35.23 78.75 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.617 0.767 . . . . 74.34 110.335 -178.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.91 -45.22 93.25 Favored 'General case' 0 C--N 1.353 0.757 0 O-C-N 124.284 0.99 . . . . 72.21 109.727 172.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.43 -35.67 81.66 Favored 'General case' 0 C--N 1.355 0.82 0 O-C-N 124.151 0.907 . . . . 65.24 111.642 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.435 HG13 ' O ' ' A' ' 49' ' ' PHE . 83.0 mt -62.3 -42.13 94.23 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.278 0 C-N-CA 123.569 0.747 . . . . 74.51 110.167 176.093 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.441 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 79.9 t -67.84 -48.78 74.12 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.759 0 C-N-CA 123.35 0.66 . . . . 74.4 110.258 178.61 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -59.3 -32.63 70.22 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.262 0.625 . . . . 73.34 111.639 178.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -72.71 -52.65 14.32 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.365 0.666 . . . . 75.44 111.244 -178.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.432 ' HE3' HG21 ' A' ' 53' ' ' ILE . 19.2 ptpt -65.62 -29.21 69.77 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.181 0.592 . . . . 75.51 112.316 -179.531 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 54' ' ' VAL . 10.5 mm-40 -85.15 -11.12 55.8 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 122.88 0.472 . . . . 72.24 110.87 174.637 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 65.78 29.94 10.37 Favored 'General case' 0 C--N 1.356 0.848 0 C-N-CA 125.004 1.321 . . . . 64.22 112.335 176.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -84.69 85.71 7.41 Favored 'General case' 0 C--O 1.244 0.774 0 N-CA-C 107.536 -1.283 . . . . 73.25 107.536 169.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.422 ' O ' ' HG3' ' A' ' 65' ' ' ARG . 35.7 m -61.53 -43.62 98.54 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.347 1.059 . . . . 75.11 112.033 -174.145 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -63.97 -39.49 94.24 Favored 'General case' 0 N--CA 1.484 1.258 0 O-C-N 123.702 0.626 . . . . 75.42 111.096 -175.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -68.11 -37.34 87.07 Favored Glycine 0 C--N 1.341 0.813 0 CA-C-N 116.033 -0.531 . . . . 51.32 112.035 175.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 44.3 tp -63.44 -35.22 79.7 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.808 0.843 . . . . 75.4 110.302 175.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.512 ' HG2' HD13 ' A' ' 98' ' ' LEU . 60.8 mtp180 -64.17 -46.84 82.21 Favored 'General case' 0 C--N 1.362 1.109 0 C-N-CA 123.477 0.711 . . . . 74.14 110.017 176.627 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 23.4 ttt-85 -70.44 -34.39 72.42 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 124.378 1.049 . . . . 73.23 110.257 -175.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.451 ' O ' ' HB2' ' A' ' 71' ' ' LEU . . . -74.73 -37.67 62.47 Favored 'General case' 0 C--N 1.351 0.659 0 C-N-CA 123.847 0.859 . . . . 71.1 110.639 179.348 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.85 -43.51 75.3 Favored 'General case' 0 C--N 1.356 0.855 0 O-C-N 123.948 0.78 . . . . 73.53 110.999 179.107 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -60.54 -52.54 64.73 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 124.096 0.872 . . . . 72.35 111.004 178.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.6 t -70.08 -27.5 64.67 Favored 'General case' 0 C--N 1.345 0.372 0 O-C-N 124.201 0.938 . . . . 74.42 111.039 -176.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.482 ' O ' HG12 ' A' ' 75' ' ' ILE . 1.2 tt -59.01 -51.55 69.6 Favored 'General case' 0 C--N 1.361 1.104 0 N-CA-C 108.758 -0.83 . . . . 71.51 108.758 172.725 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.515 ' HG2' ' HB1' ' A' ' 91' ' ' ALA . 54.7 mtpt -69.52 -32.46 71.31 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.754 0.821 . . . . 72.13 111.948 -177.533 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -68.3 -33.46 74.37 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.4 0.68 . . . . 72.11 109.718 174.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.499 ' O ' HG13 ' A' ' 78' ' ' ILE . . . -69.11 -39.54 78.88 Favored 'General case' 0 C--O 1.215 -0.755 0 CA-C-O 118.66 -0.686 . . . . 75.31 110.013 174.422 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.602 HG22 ' HG2' ' A' ' 88' ' ' LYS . 32.7 mm -60.8 -47.17 94.44 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 C-N-CA 123.405 0.682 . . . . 74.53 111.485 -177.323 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 34.8 p -67.63 -18.39 64.95 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-N 114.703 -1.135 . . . . 63.41 111.293 177.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -99.06 -10.01 23.14 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.02 0.928 . . . . 74.11 112.03 177.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.499 HG13 ' O ' ' A' ' 74' ' ' ALA . 63.8 mt . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 118.768 -0.634 . . . . 72.01 109.345 177.115 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.014 0 CA-C-O 120.955 0.407 . . . . 72.52 111.45 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.457 ' HA ' ' HE1' ' A' ' 90' ' ' MET . . . -69.12 -34.17 74.63 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.548 -0.751 . . . . 71.34 111.035 178.167 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.602 ' HG2' HG22 ' A' ' 75' ' ' ILE . 8.3 tmtt? -63.22 -36.85 85.03 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 123.76 0.824 . . . . 74.34 108.924 176.532 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.451 ' HA ' ' HE3' ' A' ' 92' ' ' LYS . 43.7 mt-10 -68.52 -30.62 69.47 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 115.015 -0.993 . . . . 65.03 110.823 178.694 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.457 ' HE1' ' HA ' ' A' ' 87' ' ' ALA . 61.1 mtm -67.34 -39.5 85.78 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.957 0.503 . . . . 75.44 110.744 174.053 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.515 ' HB1' ' HG2' ' A' ' 72' ' ' LYS . . . -64.88 -31.65 72.99 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 115.639 -0.709 . . . . 64.51 110.739 176.249 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.472 ' O ' ' HG2' ' A' ' 96' ' ' GLU . 10.1 mtmp? -63.27 -42.59 99.13 Favored 'General case' 0 C--N 1.362 1.137 0 O-C-N 123.649 0.593 . . . . 75.21 110.438 174.584 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.412 ' HB2' ' HE1' ' A' ' 49' ' ' PHE . 69.1 mmtt -58.56 -42.38 87.82 Favored 'General case' 0 N--CA 1.482 1.142 0 O-C-N 123.884 0.74 . . . . 74.02 110.947 178.38 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.49 -37.65 88.11 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.722 0.809 . . . . 64.13 111.497 -179.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -66.87 -39.42 87.52 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.663 0.785 . . . . 75.01 110.853 175.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 17.4 mm-40 -63.2 -52.06 63.84 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.614 0.766 . . . . 73.53 110.418 179.684 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 28.0 m0 -59.94 -32.9 71.22 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 124.111 0.882 . . . . 74.31 111.106 179.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.512 HD13 ' HG2' ' A' ' 65' ' ' ARG . 25.8 tp -66.48 -38.62 87.69 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 123.787 0.68 . . . . 74.11 110.772 179.043 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 12.4 mm-40 -68.65 -29.74 68.29 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 122.318 0.247 . . . . 64.02 110.616 177.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.59 -46.58 68.98 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.523 0.729 . . . . 63.2 110.71 177.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 . . . . . 0 N--CA 1.478 0.929 0 C-N-CA 123.707 0.803 . . . . 74.41 112.21 -179.291 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 33.4 mtm . . . . . 0 N--CA 1.47 0.56 0 N-CA-C 108.779 -0.823 . . . . 73.14 108.779 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.94 -60.72 4.42 Favored Glycine 0 C--N 1.346 1.138 0 N-CA-C 111.214 -0.754 . . . . 51.13 111.214 -177.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 42.3 ttp180 -64.57 -42.73 95.46 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.3 0.64 . . . . 74.25 109.632 170.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.427 ' O ' HG13 ' A' ' 31' ' ' ILE . . . -60.62 -43.26 97.71 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 123.945 0.778 . . . . 74.2 110.824 173.001 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.22 -35.49 81.23 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 124.375 1.07 . . . . 71.2 110.537 -179.686 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -65.01 -42.13 94.7 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 114.519 -1.218 . . . . 73.11 109.442 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -64.47 -36.72 85.11 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 124.009 0.818 . . . . 72.24 111.403 -178.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 27' ' ' ALA . 28.0 mt -65.16 -45.31 94.39 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.811 0 O-C-N 123.928 0.767 . . . . 73.54 109.499 175.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.55 -34.43 89.91 Favored Glycine 0 C--N 1.354 1.573 0 CA-C-N 115.423 -0.808 . . . . 55.43 113.366 -179.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 97.9 mt -57.78 -40.56 80.11 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.721 0.808 . . . . 71.43 110.246 174.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -74.79 -26.77 59.97 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.041 -0.981 . . . . 71.43 112.363 -178.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.549 ' HA ' ' HE2' ' A' ' 38' ' ' MET . 4.6 mptp? -64.46 -42.11 96.13 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 109.292 -0.633 . . . . 74.31 109.292 170.297 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -67.41 -30.75 70.58 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.709 0.803 . . . . 75.12 110.612 176.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -68.73 -25.79 64.92 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.869 0.868 . . . . 75.35 111.467 175.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.549 ' HE2' ' HA ' ' A' ' 35' ' ' LYS . 70.0 mtm -87.05 -4.68 59.18 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.036 0.534 . . . . 75.32 111.64 176.546 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.9 -1.8 87.78 Favored Glycine 0 C--N 1.341 0.821 0 N-CA-C 112.464 -0.254 . . . . 62.24 112.464 -173.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.523 ' HD2' ' HE1' ' A' ' 38' ' ' MET . 98.4 mttt -84.36 67.73 9.96 Favored 'General case' 0 C--N 1.353 0.758 0 N-CA-C 108.374 -0.973 . . . . 71.54 108.374 175.237 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.66 -16.32 62.25 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 114.531 -1.213 . . . . 62.35 111.824 -176.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.454 ' HG2' HD11 ' A' ' 78' ' ' ILE . 2.1 tmm_? -72.61 -50.28 26.37 Favored 'General case' 0 C--N 1.355 0.839 0 N-CA-C 108.572 -0.899 . . . . 73.24 108.572 173.622 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -61.32 -34.57 75.47 Favored 'General case' 0 N--CA 1.479 1.001 0 O-C-N 124.115 0.885 . . . . 64.41 111.183 173.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.55 -51.75 68.5 Favored 'General case' 0 C--N 1.35 0.592 0 N-CA-C 109.381 -0.6 . . . . 72.31 109.381 175.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.63 -43.01 79.83 Favored 'General case' 0 C--N 1.351 0.647 0 O-C-N 124.726 1.266 . . . . 75.55 111.282 178.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.453 ' HG2' ' O ' ' A' ' 42' ' ' ARG . 72.3 mm-40 -53.35 -52.86 57.86 Favored 'General case' 0 C--N 1.355 0.835 0 C-N-CA 123.625 0.77 . . . . 71.34 110.576 178.255 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -72.46 -29.52 63.74 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.201 1.001 . . . . 73.42 111.752 -174.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -72.05 -32.88 67.51 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.087 0.555 . . . . 71.42 110.817 176.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -67.36 -50.63 59.02 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.597 -0.729 . . . . 72.33 110.129 175.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -65.1 -32.11 73.65 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 115.181 -0.918 . . . . 75.41 110.367 -178.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.95 -46.27 78.75 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 115.602 -0.726 . . . . 71.42 109.702 172.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.1 -32.63 72.31 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 124.191 0.932 . . . . 71.21 111.686 -179.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 72.2 mt -59.89 -49.92 82.09 Favored 'Isoleucine or valine' 0 C--N 1.359 0.997 0 C-N-CA 123.852 0.861 . . . . 75.1 110.089 173.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 76.1 t -59.45 -45.9 93.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 123.265 0.626 . . . . 73.55 110.964 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -63.67 -34.33 77.62 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 115.03 -0.986 . . . . 74.25 111.081 178.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -71.44 -40.12 70.56 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 123.023 0.529 . . . . 74.22 111.44 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.14 -44.91 71.79 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 123.17 0.588 . . . . 74.2 110.836 173.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -83.02 -9.0 59.49 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 115.202 -0.908 . . . . 73.13 111.819 178.255 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 59.61 29.19 18.74 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 124.831 1.252 . . . . 74.24 112.063 178.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -81.04 99.47 8.48 Favored 'General case' 0 C--O 1.241 0.606 0 C-N-CA 124.867 1.267 . . . . 64.15 108.084 178.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.43 HG23 ' HB3' ' A' ' 101' ' ' GLU . 35.4 p -62.04 -40.54 96.08 Favored 'General case' 0 C--O 1.214 -0.781 0 C-N-CA 123.83 0.852 . . . . 73.12 112.745 -174.527 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -64.78 -39.83 94.25 Favored 'General case' 0 N--CA 1.486 1.336 0 O-C-N 123.651 0.594 . . . . 70.12 111.5 -175.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -73.11 -45.06 33.23 Favored Glycine 0 C--N 1.344 1.021 0 O-C-N 123.551 0.532 . . . . 73.2 111.934 178.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 61.5 tp -59.46 -36.68 76.43 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 124.763 1.225 . . . . 73.35 110.764 176.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -65.98 -50.92 62.61 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.832 1.653 . . . . 74.32 110.264 177.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -64.35 -40.33 95.66 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.311 0.644 . . . . 61.15 110.836 -178.378 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.51 -32.87 73.14 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.29 0.636 . . . . 74.24 110.953 179.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.401 ' O ' ' HG2' ' A' ' 72' ' ' LYS . . . -71.14 -42.73 68.78 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.591 0.757 . . . . 64.22 111.469 177.623 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.533 ' HZ2' ' HB3' ' A' ' 69' ' ' LYS . 9.3 mtpm? -66.57 -39.07 88.29 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.863 0.865 . . . . 72.53 110.237 177.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.0 t -70.05 -32.58 70.76 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 114.749 -1.114 . . . . 75.42 110.3 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.1 mt -61.47 -43.72 98.36 Favored 'General case' 0 C--N 1.361 1.073 0 C-N-CA 123.717 0.807 . . . . 74.54 110.413 172.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 68' ' ' ALA . 44.3 mmtm -59.35 -44.89 92.61 Favored 'General case' 0 N--CA 1.481 1.121 0 O-C-N 123.393 0.433 . . . . 74.15 110.559 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -67.35 -46.92 71.97 Favored 'General case' 0 N--CA 1.48 1.042 0 O-C-N 123.945 0.778 . . . . 75.41 110.808 -179.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.11 -47.15 87.1 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.844 0.858 . . . . 73.43 111.177 -175.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.472 HD12 ' HB1' ' A' ' 91' ' ' ALA . 36.4 mt -74.44 -33.21 32.59 Favored 'Isoleucine or valine' 0 C--O 1.245 0.862 0 N-CA-C 112.203 0.446 . . . . 73.42 112.203 -173.554 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 68.2 p -76.81 -15.58 59.69 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 116.596 -0.275 . . . . 73.32 110.782 174.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -89.65 -18.3 26.74 Favored 'General case' 0 C--N 1.354 0.795 0 C-N-CA 123.435 0.694 . . . . 62.14 111.524 175.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.454 HD11 ' HG2' ' A' ' 42' ' ' ARG . 58.9 mt . . . . . 0 N--CA 1.487 1.424 0 N-CA-C 108.283 -1.006 . . . . 74.31 108.283 174.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 . . . . . 0 N--CA 1.478 0.943 0 CA-C-O 120.758 0.313 . . . . 73.44 110.158 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.573 ' HA ' ' HE3' ' A' ' 90' ' ' MET . . . -73.7 -33.16 64.28 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 115.902 -0.59 . . . . 65.43 110.88 178.53 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.465 ' HA ' HD11 ' A' ' 75' ' ' ILE . 4.5 tppp? -60.34 -37.88 82.01 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.749 0.82 . . . . 75.21 110.566 -179.122 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -55.12 -31.96 61.68 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.236 1.014 . . . . 74.43 111.977 178.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.573 ' HE3' ' HA ' ' A' ' 87' ' ' ALA . 45.0 mtm -73.92 -32.58 63.6 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.511 1.124 . . . . 73.44 111.511 -178.331 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.472 ' HB1' HD12 ' A' ' 75' ' ' ILE . . . -59.8 -40.4 88.2 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 122.929 0.492 . . . . 72.13 110.236 173.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.454 ' O ' ' HG2' ' A' ' 96' ' ' GLU . 0.8 OUTLIER -64.5 -41.94 96.14 Favored 'General case' 0 C--N 1.364 1.202 0 O-C-N 124.101 0.875 . . . . 74.13 110.16 177.947 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 26.3 mmtp -59.51 -44.3 93.16 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 124.053 0.941 . . . . 73.42 111.937 178.192 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.45 -35.75 76.58 Favored 'General case' 0 N--CA 1.468 0.429 0 O-C-N 124.442 1.089 . . . . 72.34 111.103 177.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.454 ' HG2' ' O ' ' A' ' 91' ' ' ALA . 19.7 mm-40 -75.54 -32.61 60.52 Favored 'General case' 0 C--O 1.219 -0.545 0 O-C-N 124.145 0.903 . . . . 73.13 111.154 176.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.454 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 58.4 mm-40 -63.04 -49.84 72.99 Favored 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 109.472 -0.566 . . . . 72.42 109.472 178.072 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . 0.448 ' O ' ' HG2' ' A' ' 101' ' ' GLU . 24.0 m0 -64.6 -45.65 86.04 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.202 -0.908 . . . . 74.54 110.53 -179.587 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 49.9 tp -62.42 -48.4 79.87 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 123.967 0.792 . . . . 73.13 111.826 -177.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -66.63 -27.23 67.52 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.399 0.679 . . . . 74.5 111.2 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.43 -36.83 65.99 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.236 0.614 . . . . 71.12 110.739 175.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' A' ' 97' ' ' TRP . 49.4 mm-40 . . . . . 0 N--CA 1.474 0.734 0 C-N-CA 123.147 0.579 . . . . 72.32 111.164 177.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 16.5 mtm . . . . . 0 CA--C 1.54 0.578 0 CA-C-O 120.734 0.302 . . . . 75.42 111.598 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.99 -50.52 3.12 Favored Glycine 0 C--N 1.348 1.229 0 C-N-CA 123.694 0.664 . . . . 63.12 111.732 -171.089 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 65.7 mtp180 -58.83 -43.16 90.62 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.842 1.257 . . . . 72.54 112.294 -176.199 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.499 ' O ' HG13 ' A' ' 31' ' ' ILE . . . -61.84 -46.1 90.93 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 123.459 0.474 . . . . 55.01 111.364 -178.598 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.552 HD23 HD13 ' A' ' 31' ' ' ILE . 21.7 mt -63.67 -34.61 78.25 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.031 0.532 . . . . 73.33 111.825 177.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -62.12 -42.51 99.31 Favored 'General case' 0 CA--C 1.546 0.797 0 O-C-N 123.328 0.392 . . . . 74.42 110.28 174.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.515 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 50.3 m-80 -67.15 -40.44 86.68 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-O 118.797 -0.62 . . . . 73.12 111.549 177.506 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.552 HD13 HD23 ' A' ' 28' ' ' LEU . 64.7 mt -63.14 -37.12 78.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 N-CA-C 109.591 -0.522 . . . . 74.21 109.591 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.52 -48.03 87.97 Favored Glycine 0 C--N 1.347 1.141 0 CA-C-N 114.79 -1.096 . . . . 74.23 112.218 173.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.529 ' O ' ' HG2' ' A' ' 37' ' ' LYS . 97.1 mt -58.53 -43.4 89.2 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 123.157 0.583 . . . . 74.13 110.506 177.084 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.515 ' HG2' ' O ' ' A' ' 30' ' ' ASN . 7.8 mm-40 -64.37 -37.93 89.26 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 124.209 1.004 . . . . 74.34 111.988 -176.691 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.428 ' HG3' ' HE2' ' A' ' 47' ' ' TYR . 33.7 mmtp -68.36 -42.27 79.42 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 116.026 -0.533 . . . . 75.53 110.005 173.74 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -64.7 -28.55 69.67 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.886 0.874 . . . . 65.01 110.69 -179.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.529 ' HG2' ' O ' ' A' ' 33' ' ' LEU . 74.5 mmtt -62.74 -41.49 99.21 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.48 0.712 . . . . 73.41 110.598 175.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 36.4 mtm -87.11 -2.27 58.5 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 115.154 -0.93 . . . . 70.23 111.225 -177.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 96.55 -6.78 65.49 Favored Glycine 0 C--N 1.348 1.207 0 CA-C-O 119.448 -0.64 . . . . 53.53 113.68 177.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -75.57 77.73 2.58 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-O 121.886 0.85 . . . . 73.34 110.432 177.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.35 -23.86 26.05 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 114.568 -1.196 . . . . 65.52 112.584 -170.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -73.94 -39.96 63.42 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 109.563 -0.532 . . . . 72.01 109.563 176.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -66.17 -42.37 89.03 Favored 'General case' 0 C--N 1.353 0.739 0 O-C-N 123.898 0.749 . . . . 72.54 109.618 171.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.63 -54.3 39.55 Favored 'General case' 0 C--N 1.349 0.577 0 O-C-N 124.085 0.866 . . . . 73.21 110.904 179.007 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.462 ' HB3' HD21 ' A' ' 71' ' ' LEU . . . -57.69 -36.55 72.11 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 124.378 1.049 . . . . 71.24 111.587 179.083 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.445 ' HA ' ' HE2' ' A' ' 90' ' ' MET . 5.8 tm-20 -66.97 -39.45 87.22 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.971 0.909 . . . . 74.12 110.572 -178.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.428 ' HE2' ' HG3' ' A' ' 35' ' ' LYS . 63.1 m-85 -71.93 -36.13 69.83 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.243 0.617 . . . . 71.22 111.663 175.23 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -66.83 -29.77 69.78 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.129 0.571 . . . . 72.13 110.849 178.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -70.13 -47.72 60.51 Favored 'General case' 0 C--N 1.343 0.31 0 O-C-N 124.11 0.882 . . . . 74.42 110.54 177.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.428 ' CB ' HD13 ' A' ' 28' ' ' LEU . 72.6 mtt180 -56.24 -46.86 79.42 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 124.161 0.913 . . . . 74.22 109.949 176.418 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.07 -44.93 95.61 Favored 'General case' 0 C--N 1.348 0.519 0 CA-C-N 114.366 -1.288 . . . . 74.42 110.549 179.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.28 -31.87 73.24 Favored 'General case' 0 N--CA 1.485 1.304 0 O-C-N 123.957 0.786 . . . . 73.01 111.913 -176.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 94.6 mt -61.68 -50.44 80.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 123.554 0.742 . . . . 73.24 109.698 173.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 51.7 t -67.88 -41.88 85.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 O-C-N 123.853 0.72 . . . . 73.32 110.987 -175.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -63.33 -47.68 81.18 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.469 0.708 . . . . 64.45 111.379 179.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.404 ' CD1' ' HB3' ' A' ' 97' ' ' TRP . 64.8 t80 -64.42 -45.5 87.29 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 123.43 0.456 . . . . 74.23 111.518 178.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 45.5 tptt -55.63 -39.47 70.87 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.55 1.14 . . . . 73.43 111.009 178.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -88.45 -9.71 51.6 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-N 115.407 -0.815 . . . . 74.54 111.165 177.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 64.4 m-70 65.44 31.91 9.95 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 125.162 1.385 . . . . 54.31 112.068 177.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -79.98 102.57 9.32 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 108.75 -0.833 . . . . 75.42 108.75 169.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 18.8 p -69.84 -25.46 63.76 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.555 0.742 . . . . 71.3 112.466 -178.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -64.79 -59.1 4.6 Favored 'General case' 0 N--CA 1.477 0.878 0 O-C-N 123.8 0.688 . . . . 71.23 109.738 -179.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -71.23 -31.49 66.21 Favored Glycine 0 C--N 1.342 0.861 0 CA-C-N 114.726 -1.125 . . . . 63.11 113.459 -176.07 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 65.7 tp -67.9 -42.2 81.54 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 122.927 0.491 . . . . 74.24 110.684 176.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -61.11 -44.66 97.01 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 124.028 0.931 . . . . 71.33 110.568 177.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 58.9 mtp180 -66.33 -49.77 65.83 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 114.803 -1.089 . . . . 74.33 110.632 179.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.473 ' O ' ' HB2' ' A' ' 71' ' ' LEU . . . -66.92 -31.22 71.67 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.227 0.611 . . . . 74.31 111.953 -175.419 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.45 ' HA ' ' HB1' ' A' ' 94' ' ' ALA . . . -63.91 -46.34 85.27 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.393 0.677 . . . . 65.42 111.05 176.578 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -72.95 -38.43 66.78 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 114.879 -1.055 . . . . 73.13 111.406 179.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 50.2 m -68.61 -33.29 73.79 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 123.767 0.667 . . . . 73.12 110.414 -179.021 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.473 ' HB2' ' O ' ' A' ' 67' ' ' ALA . 0.9 OUTLIER -62.81 -53.16 58.59 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.717 0.807 . . . . 75.11 109.52 179.395 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.22 -37.69 72.02 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-N 115.353 -0.84 . . . . 64.15 112.409 -173.171 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -68.67 -29.2 67.62 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 122.675 0.39 . . . . 74.4 110.412 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.26 -34.71 70.96 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 115.561 -0.745 . . . . 64.11 110.745 175.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.718 HD11 ' HA ' ' A' ' 88' ' ' LYS . 59.9 mt -71.63 -38.93 68.8 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.254 0 C-N-CA 123.365 0.666 . . . . 73.03 111.76 179.618 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 39.4 p -71.01 -12.9 61.79 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 116.419 -0.355 . . . . 75.21 111.02 173.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -94.82 -15.67 23.57 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 123.852 0.861 . . . . 71.53 111.867 177.03 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 56.0 mt . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 108.953 -0.758 . . . . 75.53 108.953 175.501 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 . . . . . 0 N--CA 1.488 1.469 0 N-CA-C 111.425 0.157 . . . . 74.1 111.425 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.526 ' HA ' ' HE1' ' A' ' 90' ' ' MET . . . -75.8 -29.05 58.59 Favored 'General case' 0 C--N 1.35 0.59 0 C-N-CA 123.305 0.642 . . . . 73.3 111.375 -173.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.718 ' HA ' HD11 ' A' ' 75' ' ' ILE . 13.8 tmtt? -65.29 -33.63 76.44 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.882 0.873 . . . . 73.53 111.342 -173.669 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -59.37 -31.79 69.53 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.838 0.855 . . . . 75.52 111.868 -178.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.526 ' HE1' ' HA ' ' A' ' 87' ' ' ALA . 40.7 mtm -72.84 -31.26 64.64 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.93 1.292 . . . . 73.45 111.824 -176.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.451 ' O ' ' HG2' ' A' ' 95' ' ' GLU . . . -53.92 -47.17 71.47 Favored 'General case' 0 N--CA 1.481 1.097 0 O-C-N 123.871 0.732 . . . . 73.44 110.802 177.06 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.434 ' O ' ' HG2' ' A' ' 96' ' ' GLU . 62.1 tttp -57.98 -42.72 85.69 Favored 'General case' 0 C--N 1.361 1.076 0 O-C-N 124.443 1.089 . . . . 73.45 111.027 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -58.96 -46.71 87.39 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 124.064 0.853 . . . . 75.31 110.988 -177.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.45 ' HB1' ' HA ' ' A' ' 68' ' ' ALA . . . -63.42 -35.39 80.25 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.7 0.8 . . . . 71.43 111.619 -179.484 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.461 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 10.8 mm-40 -66.21 -47.73 72.9 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.487 0.715 . . . . 75.21 111.002 175.006 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 68.0 mm-40 -56.23 -45.65 79.87 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.598 0.759 . . . . 70.44 110.986 -179.398 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . 0.404 ' HB3' ' CD1' ' A' ' 56' ' ' TYR . 44.5 m0 -68.62 -38.78 80.83 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 114.888 -1.051 . . . . 74.25 110.98 -178.114 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 30.2 tp -68.41 -34.08 75.36 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 115.783 -0.644 . . . . 75.22 111.271 -179.009 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.461 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 82.6 mm-40 -72.66 -32.04 65.53 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 122.738 0.415 . . . . 72.32 110.37 178.13 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.35 -30.91 71.96 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.429 0.692 . . . . 73.32 111.169 177.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 . . . . . 0 CA--C 1.542 0.656 0 C-N-CA 123.747 0.819 . . . . 72.11 111.193 177.135 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 28.9 mtm . . . . . 0 N--CA 1.473 0.711 0 CA-C-O 121.123 0.487 . . . . 74.55 110.869 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.97 -47.71 1.28 Allowed Glycine 0 C--N 1.346 1.096 0 N-CA-C 110.314 -1.115 . . . . 75.3 110.314 -171.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.2 ttt180 -54.85 -47.04 74.68 Favored 'General case' 0 C--N 1.354 0.761 0 C-N-CA 124.336 1.054 . . . . 73.24 110.775 174.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.413 ' O ' HG13 ' A' ' 31' ' ' ILE . . . -57.38 -39.81 76.83 Favored 'General case' 0 C--N 1.35 0.593 0 O-C-N 124.058 0.849 . . . . 75.33 112.601 -175.097 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.426 ' O ' ' HB3' ' A' ' 47' ' ' TYR . 59.2 mt -65.44 -45.66 82.98 Favored 'General case' 0 N--CA 1.484 1.264 0 O-C-N 123.179 0.299 . . . . 75.33 110.529 176.621 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -57.36 -40.08 77.32 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.063 0.945 . . . . 71.5 111.078 177.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -73.48 -36.31 65.79 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.268 1.027 . . . . 73.53 111.331 -175.746 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' ' 27' ' ' ALA . 90.3 mt -63.76 -44.28 98.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 N-CA-C 109.052 -0.721 . . . . 71.12 109.052 171.401 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.04 -36.43 93.45 Favored Glycine 0 C--N 1.352 1.441 0 O-C-N 124.431 1.082 . . . . 54.21 113.246 -177.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 85.5 mt -59.34 -40.51 86.58 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.072 0.549 . . . . 71.22 110.015 175.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.428 ' HA ' ' HB3' ' A' ' 37' ' ' LYS . 43.6 mm-40 -76.37 -29.16 57.05 Favored 'General case' 0 C--N 1.348 0.51 0 O-C-N 123.979 0.799 . . . . 63.15 111.947 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -66.55 -49.43 66.46 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 109.605 -0.517 . . . . 73.42 109.605 175.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -64.1 -32.52 74.11 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 123.878 0.871 . . . . 70.34 110.448 179.071 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.428 ' HB3' ' HA ' ' A' ' 34' ' ' GLU . 1.6 tmtp? -66.19 -38.65 88.53 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 124.83 1.252 . . . . 74.02 110.838 173.721 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.446 ' HE1' ' HD2' ' A' ' 40' ' ' LYS . 69.7 mtm -86.54 1.33 52.0 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 123.406 0.682 . . . . 74.41 111.656 178.673 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.96 0.38 89.67 Favored Glycine 0 C--N 1.347 1.194 0 N-CA-C 113.758 0.263 . . . . 74.13 113.758 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.446 ' HD2' ' HE1' ' A' ' 38' ' ' MET . 62.3 mttm -82.49 55.34 2.9 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.923 1.289 . . . . 73.32 109.599 176.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.92 -27.52 65.83 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.535 1.134 . . . . 72.4 111.885 -171.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.67 -51.46 63.1 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 124.574 1.15 . . . . 74.31 110.798 172.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -79.99 -29.26 39.48 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 116.335 -0.393 . . . . 74.41 111.571 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.18 -53.63 55.95 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 124.094 0.871 . . . . 62.02 110.916 178.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.41 -35.14 73.43 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 124.742 1.276 . . . . 72.2 111.27 -179.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -68.16 -41.02 82.18 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 124.079 0.951 . . . . 73.52 109.817 -179.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.426 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 40.0 m-85 -66.83 -36.71 82.98 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.407 0.683 . . . . 73.35 111.16 175.676 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.441 ' HB2' ' HG ' ' A' ' 71' ' ' LEU . 23.5 m-85 -68.88 -32.41 72.05 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.22 0.608 . . . . 74.43 110.515 178.287 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -68.81 -51.4 41.24 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 123.741 0.651 . . . . 74.42 110.646 178.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 35.0 mtp180 -66.79 -33.07 74.81 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 123.978 0.799 . . . . 75.35 111.417 -179.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.21 -48.27 80.77 Favored 'General case' 0 C--N 1.35 0.597 0 O-C-N 123.711 0.632 . . . . 72.11 109.322 172.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.16 -34.63 73.83 Favored 'General case' 0 C--N 1.357 0.921 0 O-C-N 124.41 1.068 . . . . 60.54 111.515 -179.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 83.8 mt -57.5 -52.77 52.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 O-C-N 124.0 0.813 . . . . 72.24 110.111 174.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.444 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 41.0 t -64.09 -44.44 97.68 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 123.095 0.558 . . . . 73.21 110.764 -176.593 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -65.22 -29.97 70.81 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.172 0.589 . . . . 72.53 111.622 178.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 44.6 t80 -72.16 -42.58 65.76 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.208 0.603 . . . . 74.41 110.279 176.184 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -56.8 -37.06 70.63 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.974 0.91 . . . . 74.23 111.393 171.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' A' ' 54' ' ' VAL . 24.4 mm-40 -85.75 -11.78 52.72 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 115.969 -0.56 . . . . 71.35 111.652 179.068 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 60.19 28.18 17.74 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.926 1.29 . . . . 71.41 111.421 -177.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -81.88 94.35 7.07 Favored 'General case' 0 C--O 1.242 0.7 0 C-N-CA 125.75 1.62 . . . . 74.2 108.593 176.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 24.3 p -64.25 -25.76 68.2 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.838 0.855 . . . . 73.22 112.379 -177.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -59.76 -59.19 5.84 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 122.808 0.443 . . . . 75.13 110.896 176.234 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -75.3 -37.17 42.75 Favored Glycine 0 C--N 1.335 0.478 0 CA-C-N 115.066 -0.97 . . . . 74.43 113.408 -172.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 53.4 tp -61.72 -49.18 77.48 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.288 0.635 . . . . 75.01 110.329 178.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.424 ' O ' ' HG3' ' A' ' 69' ' ' LYS . 37.4 ttt180 -63.33 -46.36 86.97 Favored 'General case' 0 C--N 1.353 0.725 0 O-C-N 124.239 0.962 . . . . 74.54 110.12 179.635 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -65.53 -34.33 78.01 Favored 'General case' 0 CA--C 1.543 0.697 0 O-C-N 124.168 0.918 . . . . 75.41 111.005 -176.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.489 ' O ' ' HB2' ' A' ' 71' ' ' LEU . . . -71.76 -36.53 70.42 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.237 0.615 . . . . 72.34 110.283 178.204 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.08 -41.76 85.8 Favored 'General case' 0 N--CA 1.483 1.194 0 O-C-N 124.124 0.89 . . . . 75.24 110.995 175.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.424 ' HG3' ' O ' ' A' ' 65' ' ' ARG . 29.5 mtpp -60.63 -48.25 82.6 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.326 1.05 . . . . 75.22 110.811 176.358 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.7 t -71.52 -30.01 65.44 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.493 0.717 . . . . 72.41 110.368 -177.254 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.489 ' HB2' ' O ' ' A' ' 67' ' ' ALA . 0.5 OUTLIER -62.26 -54.49 40.05 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 124.345 1.058 . . . . 72.51 110.069 -177.884 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.517 ' HA ' HD12 ' A' ' 75' ' ' ILE . 21.8 pttp -64.02 -30.82 71.86 Favored 'General case' 0 N--CA 1.481 1.096 0 O-C-N 123.866 0.729 . . . . 73.02 111.569 -176.458 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -72.81 -36.24 67.51 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.753 0.821 . . . . 75.25 110.391 178.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.44 ' O ' HG13 ' A' ' 78' ' ' ILE . . . -67.23 -37.57 83.8 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.872 -0.604 . . . . 73.34 110.2 174.288 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.785 HD11 ' HA ' ' A' ' 88' ' ' LYS . 65.4 mt -66.31 -41.21 88.6 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 C-N-CA 123.497 0.719 . . . . 71.15 111.665 -177.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 50.7 p -62.26 -25.3 67.76 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 123.52 0.513 . . . . 64.13 110.793 174.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.89 -19.9 22.83 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.898 0.879 . . . . 71.31 112.439 178.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.44 HG13 ' O ' ' A' ' 74' ' ' ALA . 66.7 mt . . . . . 0 N--CA 1.49 1.568 0 CA-C-N 118.452 0.569 . . . . 71.23 110.055 -179.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 . . . . . 0 N--CA 1.482 1.159 0 CA-C-O 121.295 0.569 . . . . 73.2 110.491 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -75.16 -25.41 58.32 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 114.865 -1.061 . . . . 73.33 111.795 -176.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.785 ' HA ' HD11 ' A' ' 75' ' ' ILE . 57.0 tttp -65.08 -34.24 77.95 Favored 'General case' 0 C--N 1.351 0.674 0 C-N-CA 123.634 0.773 . . . . 74.42 111.134 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.493 ' HA ' ' HD3' ' A' ' 92' ' ' LYS . 78.4 mm-40 -59.24 -28.62 66.86 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.447 1.099 . . . . 75.35 112.103 178.161 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.4 ' HE1' HD23 ' A' ' 71' ' ' LEU . 54.3 mtm -68.98 -39.64 79.29 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.195 0.598 . . . . 74.33 111.511 -178.606 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.27 -39.6 95.05 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.019 0.527 . . . . 65.32 110.067 174.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.493 ' HD3' ' HA ' ' A' ' 89' ' ' GLU . 55.8 mtpt -64.83 -40.25 94.88 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 114.679 -1.146 . . . . 75.44 110.713 177.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 34.2 mmtm -62.62 -46.98 85.78 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.541 0.736 . . . . 74.22 110.667 178.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.83 -31.46 72.1 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 124.254 0.971 . . . . 75.24 111.635 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 99' ' ' GLN . 3.0 tm-20 -75.54 -33.72 60.71 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.136 0.974 . . . . 71.41 110.05 177.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -65.42 -42.64 92.29 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.433 0.693 . . . . 75.23 110.353 175.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 34.9 m0 -65.83 -37.35 85.99 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 115.663 -0.698 . . . . 75.25 110.428 177.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 51.7 tp -58.65 -43.76 89.89 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 124.198 0.936 . . . . 72.14 110.659 177.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.406 ' HG3' ' O ' ' A' ' 95' ' ' GLU . 71.1 mt-30 -60.71 -46.03 91.95 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.693 0.797 . . . . 73.22 110.561 176.099 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.62 -28.58 69.47 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.039 0.936 . . . . 74.21 111.92 -179.108 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 . . . . . 0 N--CA 1.475 0.82 0 C-N-CA 123.7 0.8 . . . . 72.34 112.802 179.537 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.554 1.125 0 N-CA-C 110.329 -0.249 . . . . 71.33 110.329 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.667 ' HB3' ' HB ' ' A' ' 5' ' ' ILE . 3.0 m-20 78.62 -49.41 0.45 Allowed 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 125.825 1.65 . . . . 71.45 113.066 174.599 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 60.45 -88.03 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 125.189 1.396 . . . . 73.43 112.153 172.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 -65.76 -43.0 90.22 Favored 'General case' 0 C--N 1.354 0.771 0 C-N-CA 123.868 0.867 . . . . 73.22 109.572 -179.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.667 ' HB ' ' HB3' ' A' ' 2' ' ' ASP . 85.9 mt -56.47 -47.08 82.25 Favored 'Isoleucine or valine' 0 C--N 1.353 0.721 0 O-C-N 124.431 1.082 . . . . 74.04 110.99 178.544 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.17 -37.75 69.99 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 124.38 1.05 . . . . 73.01 111.199 -176.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -69.44 -44.29 71.59 Favored 'General case' 0 CA--C 1.549 0.904 0 CA-C-N 115.137 -0.938 . . . . 75.43 110.645 174.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.517 ' HA ' ' HB1' ' A' ' 11' ' ' ALA . 28.0 m-85 -69.05 -20.1 64.1 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.798 0.839 . . . . 71.23 112.754 -178.505 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' A' ' 5' ' ' ILE . 48.4 mt-10 -67.76 -25.68 65.74 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 122.684 0.394 . . . . 73.44 110.353 173.389 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 38.3 mtmm -98.03 -21.21 16.93 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.163 0.985 . . . . 74.24 111.19 175.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.517 ' HB1' ' HA ' ' A' ' 8' ' ' PHE . . . -81.93 -34.69 29.74 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.167 0.587 . . . . 74.44 110.668 179.403 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.59 ' HD2' ' HB2' ' A' ' 27' ' ' ALA . 2.8 t80 -85.82 99.22 11.22 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 107.53 -1.285 . . . . 75.32 107.53 175.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.406 ' HG2' ' SD ' ' A' ' 24' ' ' MET . 46.0 pttt -80.74 177.77 8.81 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 122.927 0.491 . . . . 71.31 109.794 173.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 41.4 mtmt -66.4 87.57 0.12 Allowed 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 122.807 0.443 . . . . 74.4 110.941 -175.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.75 -30.13 40.72 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.002 0.921 . . . . 64.41 111.706 -178.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -94.48 19.95 9.02 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.638 0.775 . . . . 71.43 111.784 -168.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -150.92 18.2 0.78 Allowed 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.436 0.695 . . . . 74.2 110.408 173.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.679 HD12 ' HG2' ' A' ' 20' ' ' GLN . 0.3 OUTLIER -149.27 153.32 37.36 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 107.061 -1.459 . . . . 73.11 107.061 -173.854 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.43 ' H ' HD11 ' A' ' 18' ' ' LEU . 5.4 m-20 -83.51 39.62 0.68 Allowed 'General case' 0 N--CA 1.486 1.333 0 CA-C-O 121.192 0.52 . . . . 65.05 111.741 -179.347 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.679 ' HG2' HD12 ' A' ' 18' ' ' LEU . 30.8 mm-40 -115.75 120.16 38.4 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 106.94 -1.504 . . . . 64.22 106.94 168.585 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -137.81 -51.69 0.06 OUTLIER Glycine 0 N--CA 1.477 1.376 0 CA-C-N 118.119 0.418 . . . . 73.43 112.718 -176.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.36 -27.54 67.47 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 124.236 1.014 . . . . 62.52 112.555 -179.084 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.4 mt -68.97 -21.56 64.16 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 124.125 0.97 . . . . 73.42 111.28 177.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.406 ' SD ' ' HG2' ' A' ' 13' ' ' LYS . 23.1 mtm -129.88 -156.66 0.77 Allowed 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.384 1.074 . . . . 71.31 109.697 -175.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.65 -60.04 4.78 Favored Glycine 0 C--N 1.345 1.057 0 N-CA-C 110.722 -0.951 . . . . 64.02 110.722 -168.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.2 ttt85 -62.41 -24.5 67.44 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.89 1.276 . . . . 74.34 111.664 178.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.59 ' HB2' ' HD2' ' A' ' 12' ' ' TYR . . . -69.43 -44.53 71.15 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-O 119.212 -0.423 . . . . 74.0 110.577 174.124 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.476 ' HG ' ' CE2' ' A' ' 12' ' ' TYR . 13.6 mt -64.75 -36.15 83.39 Favored 'General case' 0 N--CA 1.488 1.469 0 CA-C-N 117.707 0.23 . . . . 74.1 110.679 173.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.441 ' CZ ' ' HG2' ' A' ' 66' ' ' ARG . 85.7 t80 -60.59 -44.09 96.62 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 123.688 0.618 . . . . 72.13 109.951 176.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -69.95 -38.35 76.13 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.096 0.558 . . . . 71.11 110.503 -177.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 83.4 mt -61.57 -41.25 89.47 Favored 'Isoleucine or valine' 0 C--N 1.358 0.968 0 C-N-CA 123.448 0.699 . . . . 71.23 109.623 173.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.98 -44.23 97.4 Favored Glycine 0 C--N 1.351 1.384 0 CA-C-N 114.979 -1.009 . . . . 74.43 112.174 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.449 ' O ' ' HG3' ' A' ' 37' ' ' LYS . 89.9 mt -54.83 -49.78 70.22 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.162 0.585 . . . . 72.43 110.002 175.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.421 ' HB2' HD13 ' A' ' 5' ' ' ILE . 31.9 mm-40 -61.84 -39.68 92.68 Favored 'General case' 0 CA--C 1.546 0.818 0 O-C-N 124.116 0.885 . . . . 73.33 112.208 -178.252 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.515 ' HE2' HD11 ' A' ' 5' ' ' ILE . 75.6 mmtt -60.64 -43.64 97.34 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 122.789 0.436 . . . . 75.12 110.223 179.259 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -69.55 -34.51 74.31 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.849 0.86 . . . . 74.33 110.603 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' A' ' 33' ' ' LEU . 29.9 mtpp -66.1 -28.77 69.07 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 123.603 0.761 . . . . 74.51 111.204 177.054 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 68.5 mtm -92.05 1.83 56.95 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.421 0.688 . . . . 75.15 111.605 177.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 101.95 -27.33 20.88 Favored Glycine 0 C--N 1.35 1.318 0 N-CA-C 113.753 0.261 . . . . 74.22 113.753 174.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.582 ' HB2' ' HZ3' ' A' ' 40' ' ' LYS . 10.2 mtmp? -83.78 76.11 10.03 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-O 121.423 0.63 . . . . 75.23 110.265 -176.603 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.76 -2.52 39.88 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.298 -0.865 . . . . 62.13 112.738 -175.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.434 ' O ' ' HG2' ' A' ' 46' ' ' GLU . 4.9 tpt180 -69.51 -55.5 10.04 Favored 'General case' 0 C--N 1.359 0.984 0 N-CA-C 109.937 -0.394 . . . . 74.21 109.937 175.522 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -62.73 -33.63 75.53 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 123.6 0.563 . . . . 75.43 110.184 177.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.56 -54.09 42.32 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 124.197 0.936 . . . . 75.54 111.225 173.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.61 -40.95 96.65 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.309 1.006 . . . . 75.31 111.412 -178.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' A' ' 42' ' ' ARG . 23.1 mm-40 -58.77 -46.56 87.24 Favored 'General case' 0 N--CA 1.479 1.012 0 O-C-N 123.907 0.755 . . . . 74.0 110.697 178.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -70.87 -32.5 69.51 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.622 -0.717 . . . . 71.41 112.054 -177.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -66.77 -33.19 75.08 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 123.623 0.577 . . . . 74.4 110.414 175.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -73.6 -50.69 19.87 Favored 'General case' 0 C--N 1.349 0.56 0 C-N-CA 123.23 0.612 . . . . 72.12 111.002 178.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.4 ' O ' HG21 ' A' ' 54' ' ' VAL . 58.7 mtp180 -64.57 -34.44 78.26 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.296 0.638 . . . . 74.53 110.287 -179.117 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.34 -46.4 83.64 Favored 'General case' 0 C--N 1.349 0.575 0 O-C-N 123.844 0.715 . . . . 61.34 109.805 172.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.4 -32.43 72.37 Favored 'General case' 0 C--N 1.355 0.837 0 O-C-N 124.039 0.837 . . . . 74.31 111.763 -178.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 85.7 mt -64.73 -44.73 96.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 123.241 0.616 . . . . 74.33 109.925 174.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.4 HG21 ' O ' ' A' ' 50' ' ' ARG . 70.6 t -63.33 -47.4 92.15 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.825 0 C-N-CA 123.351 0.66 . . . . 74.05 110.583 179.202 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -61.68 -40.69 95.86 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.506 0.722 . . . . 63.25 110.937 178.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -60.72 -50.53 73.09 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.963 0.905 . . . . 73.01 111.297 -179.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -61.78 -38.95 89.95 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.401 0.681 . . . . 75.42 112.015 176.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -84.49 -4.11 58.76 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 122.512 0.325 . . . . 70.31 111.707 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 59.48 29.28 18.82 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.785 1.234 . . . . 73.34 111.776 178.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -79.95 86.13 5.49 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.001 1.32 . . . . 71.2 107.838 176.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.87 -36.86 77.78 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.317 1.047 . . . . 74.22 112.884 -175.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -60.93 -57.44 12.64 Favored 'General case' 0 C--N 1.352 0.682 0 O-C-N 123.712 0.633 . . . . 72.41 110.074 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -65.75 -34.48 88.93 Favored Glycine 0 C--N 1.337 0.611 0 O-C-N 124.309 1.006 . . . . 70.2 113.233 -178.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 63.7 tp -67.23 -40.98 86.41 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.169 0.588 . . . . 72.2 110.368 178.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 44.8 ttm180 -68.54 -36.99 79.57 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.186 0.994 . . . . 75.42 110.207 177.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.441 ' HG2' ' CZ ' ' A' ' 29' ' ' TYR . 60.6 ttm-85 -73.8 -36.26 64.98 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 114.333 -1.303 . . . . 74.44 110.253 -177.312 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.484 ' O ' ' HB2' ' A' ' 71' ' ' LEU . . . -75.2 -41.11 58.53 Favored 'General case' 0 C--O 1.219 -0.541 0 CA-C-N 115.274 -0.875 . . . . 64.1 110.185 179.187 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.33 -45.82 92.84 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 124.466 1.104 . . . . 53.41 111.182 178.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -61.6 -51.04 70.17 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 114.136 -1.393 . . . . 75.45 110.845 -179.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 50.4 m -70.14 -28.25 65.2 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.607 0.763 . . . . 74.41 111.644 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.484 ' HB2' ' O ' ' A' ' 67' ' ' ALA . 0.6 OUTLIER -60.44 -56.13 25.15 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.622 0.769 . . . . 72.23 109.943 -176.507 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.518 ' HG3' ' HG3' ' A' ' 73' ' ' GLU . 25.2 pttm -63.59 -31.3 72.43 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 124.06 0.85 . . . . 75.23 111.994 -173.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.518 ' HG3' ' HG3' ' A' ' 72' ' ' LYS . 41.6 mt-10 -87.26 -22.31 25.26 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.692 0.797 . . . . 72.21 111.554 -176.006 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.02 -31.31 61.34 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 110.014 -0.365 . . . . 73.52 110.014 170.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.768 HD11 ' HA ' ' A' ' 88' ' ' LYS . 70.2 mt -66.43 -42.08 89.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 124.185 0.994 . . . . 75.2 111.824 179.234 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 82.6 p -70.0 -16.38 63.17 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 116.187 -0.46 . . . . 74.35 110.631 177.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -99.64 -0.08 40.99 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 124.238 1.015 . . . . 73.03 112.192 179.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 59.3 mt -65.07 130.59 94.9 Favored Pre-proline 0 N--CA 1.489 1.487 0 C-N-CA 122.987 0.515 . . . . 75.23 110.587 178.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -73.41 -160.31 0.09 OUTLIER 'Trans proline' 0 C--N 1.382 2.333 0 C-N-CA 123.249 2.633 . . . . 74.52 113.035 178.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -58.87 161.21 5.08 Favored 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 123.773 0.829 . . . . 72.4 110.96 179.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 62.13 24.61 14.67 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.401 0.68 . . . . 73.33 110.201 -164.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -52.51 102.99 0.06 Allowed 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.41 1.084 . . . . 73.12 109.839 175.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -59.27 -32.04 71.07 Favored Glycine 0 C--N 1.351 1.372 0 CA-C-N 115.062 -0.972 . . . . 55.2 114.175 -171.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 59.78 -83.83 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.974 1.31 . . . . 65.03 111.886 176.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -72.84 4.6 3.95 Favored 'General case' 0 CA--C 1.558 1.286 0 C-N-CA 123.406 0.683 . . . . 75.42 112.238 -174.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -112.66 -55.44 2.52 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 123.008 0.523 . . . . 71.2 110.377 171.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -76.08 -39.38 55.48 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 122.922 0.489 . . . . 53.12 111.726 -171.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.768 ' HA ' HD11 ' A' ' 75' ' ' ILE . 14.9 tmtt? -70.63 -32.58 69.95 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.424 0.689 . . . . 73.13 111.457 -175.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -65.24 -27.44 68.66 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.809 0.843 . . . . 53.33 112.004 178.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.431 ' HE1' HD21 ' A' ' 71' ' ' LEU . 39.5 mtm -62.53 -34.95 77.94 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.387 0.675 . . . . 74.41 111.746 176.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.424 ' O ' ' HG2' ' A' ' 95' ' ' GLU . . . -62.44 -42.84 99.75 Favored 'General case' 0 C--N 1.348 0.508 0 O-C-N 123.59 0.556 . . . . 63.44 109.842 174.111 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.613 ' HB3' ' HZ3' ' A' ' 92' ' ' LYS . 7.7 mtpm? -63.58 -35.55 80.89 Favored 'General case' 0 C--N 1.353 0.759 0 O-C-N 124.356 1.035 . . . . 74.11 111.191 178.585 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -60.62 -49.96 75.42 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.26 0.624 . . . . 73.32 110.474 174.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.83 -29.53 70.49 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 114.82 -1.082 . . . . 74.21 111.628 -178.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' A' ' 91' ' ' ALA . 75.6 mm-40 -60.95 -51.55 68.79 Favored 'General case' 0 C--N 1.357 0.911 0 C-N-CA 123.225 0.61 . . . . 73.01 110.224 171.185 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.504 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 23.6 mm-40 -63.46 -41.74 98.62 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 115.422 -0.808 . . . . 74.21 111.593 -174.008 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 48.1 m0 -63.81 -46.31 85.72 Favored 'General case' 0 C--N 1.345 0.409 0 O-C-N 124.086 0.866 . . . . 75.21 110.11 179.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.432 ' O ' ' HG2' ' A' ' 102' ' ' GLN . 47.4 tp -63.48 -48.32 78.14 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 124.12 0.888 . . . . 74.12 111.763 -176.029 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -66.01 -36.37 83.09 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.001 0.52 . . . . 73.12 111.259 -177.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.38 -29.6 62.73 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 116.025 -0.534 . . . . 62.21 110.818 178.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 -65.43 -30.61 71.43 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 122.965 0.506 . . . . 62.53 110.72 173.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.432 ' HG2' ' O ' ' A' ' 98' ' ' LEU . 65.7 mm-40 -82.9 -71.87 0.47 Allowed 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 109.838 -0.43 . . . . 75.13 109.838 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 65.7 t30 52.24 33.21 12.09 Favored 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 124.474 1.109 . . . . 75.34 111.655 176.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 48.7 t30 . . . . . 0 C--O 1.248 1.01 0 C-N-CA 123.921 0.888 . . . . 73.33 109.695 -175.978 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.871 0 CA-C-O 121.047 0.451 . . . . 72.3 109.793 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -116.85 20.74 13.76 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 124.13 0.972 . . . . 74.4 110.098 173.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -65.12 -47.08 78.41 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.864 1.265 . . . . 73.11 109.906 -177.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -74.25 -40.72 62.18 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.907 0.883 . . . . 74.01 109.662 177.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.437 HD13 ' HB2' ' A' ' 34' ' ' GLU . 53.4 mt -59.21 -38.44 74.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 124.459 1.104 . . . . 73.04 112.223 -176.704 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.16 -29.03 67.13 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.705 0.802 . . . . 71.21 111.709 -178.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -76.78 -40.87 46.76 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.621 0.768 . . . . 73.41 110.048 176.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -68.74 -21.04 64.4 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.367 0.667 . . . . 64.55 111.591 178.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -64.36 -51.17 64.66 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.158 0.583 . . . . 74.0 110.345 172.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -67.11 -30.82 70.93 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 115.707 -0.679 . . . . 71.32 110.308 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.1 -38.73 75.72 Favored 'General case' 0 C--O 1.24 0.578 0 C-N-CA 123.654 0.782 . . . . 72.34 110.896 176.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.64 ' HD2' ' HB1' ' A' ' 27' ' ' ALA . 2.9 t80 -93.95 96.44 9.71 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-O 121.855 0.836 . . . . 74.3 110.761 -174.574 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -90.54 25.93 2.14 Favored 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 125.374 1.47 . . . . 65.22 112.262 -178.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 69.95 116.47 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.675 0 C-N-CA 124.633 1.173 . . . . 75.24 111.125 -178.539 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.586 ' HB3' ' HH ' ' A' ' 12' ' ' TYR . . . -114.09 19.89 16.09 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.298 0.639 . . . . 74.21 111.811 -175.124 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -106.87 -60.98 1.6 Allowed 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.563 0.745 . . . . 71.3 109.274 -178.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -62.36 -35.97 80.8 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 115.253 -0.885 . . . . 74.22 110.507 175.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 56.2 mt -89.43 135.41 33.61 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 108.256 -1.016 . . . . 74.14 108.256 172.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -71.14 -18.17 62.52 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.275 0.63 . . . . 71.25 110.014 174.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -58.87 115.64 3.24 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.653 1.181 . . . . 73.41 109.11 169.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.449 ' HA2' ' HB2' ' A' ' 15' ' ' ALA . . . -122.0 -43.12 0.42 Allowed Glycine 0 N--CA 1.474 1.218 0 N-CA-C 111.736 -0.546 . . . . 73.52 111.736 -179.482 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.65 -31.33 66.19 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 124.897 1.279 . . . . 75.34 112.85 -179.279 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.454 ' HB2' ' SD ' ' A' ' 24' ' ' MET . 72.1 mt -68.79 -26.58 65.27 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 115.688 -0.687 . . . . 73.11 111.088 -179.559 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.454 ' SD ' ' HB2' ' A' ' 23' ' ' LEU . 4.1 mpp? -123.21 -114.07 0.31 Allowed 'General case' 0 CA--C 1.562 1.437 0 C-N-CA 123.976 0.91 . . . . 60.24 109.725 -179.113 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.76 -80.4 0.05 OUTLIER Glycine 0 C--N 1.368 2.342 0 C-N-CA 124.177 0.894 . . . . 74.22 114.338 -177.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 28.0 mmt180 -55.1 -31.12 60.98 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 125.399 1.48 . . . . 74.41 113.184 -175.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.64 ' HB1' ' HD2' ' A' ' 12' ' ' TYR . . . -61.7 -37.25 83.47 Favored 'General case' 0 CA--C 1.551 0.996 0 CA-C-O 119.025 -0.512 . . . . 73.21 112.021 -176.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.701 HD21 HD11 ' A' ' 31' ' ' ILE . 15.4 mt -70.35 -33.72 71.79 Favored 'General case' 0 N--CA 1.491 1.575 0 CA-C-N 118.123 0.42 . . . . 75.44 111.451 176.115 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -60.8 -42.31 97.37 Favored 'General case' 0 CA--C 1.548 0.866 0 O-C-N 123.799 0.687 . . . . 75.42 110.11 178.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -66.63 -35.65 80.68 Favored 'General case' 0 N--CA 1.483 1.214 0 O-C-N 123.655 0.597 . . . . 64.0 111.688 178.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.701 HD11 HD21 ' A' ' 28' ' ' LEU . 91.9 mt -64.58 -42.54 95.43 Favored 'Isoleucine or valine' 0 C--N 1.354 0.775 0 N-CA-C 109.223 -0.658 . . . . 75.34 109.223 177.438 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.94 -40.6 99.49 Favored Glycine 0 C--N 1.353 1.527 0 CA-C-N 115.35 -0.841 . . . . 64.41 112.924 178.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.2 mt -57.65 -46.72 83.84 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.305 0.642 . . . . 71.11 110.298 177.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.437 ' HB2' HD13 ' A' ' 5' ' ' ILE . 25.5 mm-40 -61.47 -42.16 98.35 Favored 'General case' 0 N--CA 1.476 0.854 0 O-C-N 124.114 0.884 . . . . 75.22 111.419 179.128 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.437 ' HG2' ' O ' ' A' ' 31' ' ' ILE . 75.6 mmtt -61.23 -45.48 94.36 Favored 'General case' 0 N--CA 1.478 0.948 0 O-C-N 123.749 0.655 . . . . 75.33 110.304 179.146 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -65.22 -34.9 79.46 Favored 'General case' 0 N--CA 1.482 1.134 0 O-C-N 123.913 0.758 . . . . 74.14 110.394 -177.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.454 ' HA ' ' HZ3' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -72.19 -28.22 63.06 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.733 0.813 . . . . 71.51 112.124 177.05 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 78.4 mtm -85.22 -0.96 56.3 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.339 0.656 . . . . 73.42 111.468 176.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.76 1.33 89.3 Favored Glycine 0 C--N 1.355 1.595 0 O-C-N 122.966 0.167 . . . . 65.34 113.051 -176.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -84.74 61.85 7.02 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.697 1.199 . . . . 73.24 109.342 177.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -67.74 -19.44 65.13 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 114.021 -1.445 . . . . 72.1 112.351 -173.14 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 25.4 tpt85 -66.03 -51.9 54.09 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.745 0.818 . . . . 73.13 110.343 176.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.414 ' HA ' ' HG2' ' A' ' 46' ' ' GLU . 5.4 mp0 -71.3 -31.6 67.62 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 116.457 -0.338 . . . . 74.42 110.384 176.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.35 -55.25 37.27 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 123.275 0.359 . . . . 60.24 110.421 178.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.42 -44.11 84.36 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 124.675 1.234 . . . . 70.13 111.722 -175.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.469 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 12.0 pt-20 -71.68 -35.38 70.27 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 119.199 -0.429 . . . . 65.05 111.566 -177.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.436 ' CD1' HD22 ' A' ' 28' ' ' LEU . 19.1 m-85 -69.15 -31.89 70.86 Favored 'General case' 0 N--CA 1.484 1.226 0 CA-C-N 118.353 0.524 . . . . 74.43 111.621 178.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -66.76 -38.09 85.9 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 123.907 0.754 . . . . 71.32 110.007 170.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -68.95 -46.66 67.63 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.659 0.784 . . . . 75.33 111.994 -178.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.469 ' HG3' ' O ' ' A' ' 46' ' ' GLU . 61.9 mtt-85 -62.96 -42.68 99.89 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.239 1.015 . . . . 73.35 109.684 -178.088 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.23 -39.73 89.78 Favored 'General case' 0 C--N 1.351 0.664 0 CA-C-N 114.485 -1.234 . . . . 71.34 110.176 175.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.6 -32.14 73.09 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.642 0.777 . . . . 73.22 112.017 -177.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 84.3 mt -62.49 -39.54 84.81 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.267 0 C-N-CA 123.556 0.742 . . . . 73.33 110.336 174.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.484 ' HA ' ' HE3' ' A' ' 57' ' ' LYS . 40.4 t -72.76 -37.72 56.04 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.596 0 C-N-CA 123.938 0.895 . . . . 72.02 110.442 -179.039 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -72.07 -28.36 63.27 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 115.833 -0.621 . . . . 75.41 110.762 175.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -75.17 -48.52 23.21 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.385 0.674 . . . . 73.11 111.06 -179.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.484 ' HE3' ' HA ' ' A' ' 54' ' ' VAL . 18.1 ptpt -63.34 -35.28 79.87 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 116.098 -0.501 . . . . 74.44 111.514 -178.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -86.31 -10.08 55.17 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.045 0.538 . . . . 73.53 111.296 176.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 65.62 29.22 11.04 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 124.386 1.075 . . . . 74.35 112.471 177.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -80.06 94.5 5.96 Favored 'General case' 0 C--N 1.346 0.449 0 N-CA-C 108.565 -0.902 . . . . 73.11 108.565 172.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 20.5 p -63.37 -27.97 69.68 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 114.879 -1.055 . . . . 62.11 112.283 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -64.79 -57.69 8.23 Favored 'General case' 0 C--N 1.35 0.618 0 O-C-N 123.9 0.75 . . . . 74.3 110.08 -176.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -67.8 -36.74 87.66 Favored Glycine 0 C--N 1.342 0.863 0 O-C-N 124.454 1.096 . . . . 64.43 112.894 178.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 61.2 tp -62.43 -36.76 83.41 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 123.366 0.666 . . . . 72.31 110.594 178.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 37.4 ttt180 -72.48 -43.65 63.4 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.833 0.853 . . . . 74.12 110.039 178.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.7 mmt180 -59.25 -44.1 92.39 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 124.049 0.843 . . . . 74.41 110.919 177.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.503 ' O ' ' HB2' ' A' ' 71' ' ' LEU . . . -71.36 -45.32 63.19 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 115.057 -0.974 . . . . 72.03 110.287 -178.059 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.43 -43.66 96.83 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.665 0.786 . . . . 74.13 111.95 -178.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.455 ' O ' ' HG2' ' A' ' 73' ' ' GLU . 11.1 tmtt? -66.42 -51.56 55.67 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 115.027 -0.988 . . . . 72.44 108.698 -177.383 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.2 t -67.41 -27.88 67.45 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 123.274 0.629 . . . . 74.5 111.293 -177.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.503 ' HB2' ' O ' ' A' ' 67' ' ' ALA . 1.5 tt -58.99 -56.53 21.01 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 124.563 1.145 . . . . 74.55 109.984 -178.379 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.557 ' HA ' HD13 ' A' ' 75' ' ' ILE . 14.4 ptmm? -68.49 -30.36 69.18 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 115.506 -0.77 . . . . 74.31 111.765 -177.027 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' A' ' 69' ' ' LYS . 11.2 mm-40 -72.65 -26.77 61.77 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.396 0.678 . . . . 73.32 111.275 178.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.493 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . -71.96 -39.59 69.25 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-O 120.914 0.388 . . . . 73.24 110.003 172.188 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.725 HD12 ' HA ' ' A' ' 88' ' ' LYS . 77.9 mt -64.93 -32.22 57.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 C-N-CA 124.018 0.927 . . . . 74.12 112.99 -174.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 63.1 p -64.25 -20.51 66.1 Favored 'General case' 0 CA--C 1.554 1.123 0 CA-C-O 120.825 0.345 . . . . 74.11 111.286 175.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -104.59 4.16 32.54 Favored 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 124.185 0.994 . . . . 75.31 112.48 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 64.6 mt -79.05 133.59 61.01 Favored Pre-proline 0 N--CA 1.488 1.428 0 N-CA-C 109.426 -0.583 . . . . 75.15 109.426 174.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -64.21 151.12 86.69 Favored 'Trans proline' 0 C--N 1.385 2.485 0 C-N-CA 122.659 2.239 . . . . 74.23 111.628 173.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.506 ' HA ' ' HG3' ' A' ' 84' ' ' ARG . 49.4 mt-10 -59.81 -25.71 65.18 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 123.835 0.854 . . . . 64.33 112.478 -178.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -83.18 98.16 9.22 Favored 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 123.865 0.866 . . . . 73.21 109.758 176.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 71.81 147.67 0.08 Allowed 'General case' 0 CA--C 1.568 1.651 0 C-N-CA 124.968 1.307 . . . . 73.53 110.825 175.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 95.34 -30.9 7.59 Favored Glycine 0 C--N 1.353 1.522 0 O-C-N 121.811 -0.556 . . . . 55.53 113.697 -177.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.506 ' HG3' ' HA ' ' A' ' 80' ' ' GLU . 10.2 mmm180 -72.34 -37.53 68.83 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.151 0.58 . . . . 75.22 111.165 -175.044 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -71.21 -59.72 2.62 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 115.945 -0.571 . . . . 73.31 109.893 177.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -67.35 -63.09 1.13 Allowed 'General case' 0 C--O 1.246 0.885 0 CA-C-N 115.635 -0.711 . . . . 75.43 111.568 -174.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.604 ' HA ' ' HE1' ' A' ' 90' ' ' MET . . . -65.63 -35.07 79.74 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 112.655 0.613 . . . . 73.0 112.655 -166.165 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.725 ' HA ' HD12 ' A' ' 75' ' ' ILE . 55.1 tttp -65.38 -37.94 88.51 Favored 'General case' 0 C--N 1.353 0.755 0 O-C-N 123.427 0.454 . . . . 75.21 111.003 -179.681 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -66.39 -33.13 75.02 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 123.624 0.77 . . . . 75.25 109.502 176.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.604 ' HE1' ' HA ' ' A' ' 87' ' ' ALA . 58.9 mtm -69.41 -32.47 71.47 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.104 0.562 . . . . 64.33 111.266 178.283 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.406 ' O ' ' HG2' ' A' ' 95' ' ' GLU . . . -64.3 -38.02 89.54 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 122.359 0.263 . . . . 73.2 110.449 169.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.437 ' O ' ' HG2' ' A' ' 96' ' ' GLU . 51.9 mtpt -63.89 -37.82 88.82 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 123.822 0.701 . . . . 73.31 110.465 178.359 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 39.4 mmtm -63.34 -43.15 98.55 Favored 'General case' 0 N--CA 1.481 1.111 0 O-C-N 123.69 0.619 . . . . 71.34 110.188 174.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.34 -31.73 73.0 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.023 -0.989 . . . . 73.11 111.328 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.479 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 68.1 mm-40 -64.33 -51.44 63.42 Favored 'General case' 0 C--N 1.359 1.01 0 O-C-N 123.754 0.659 . . . . 72.2 109.247 172.269 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 28.3 mm-40 -55.94 -46.48 78.51 Favored 'General case' 0 N--CA 1.479 1.009 0 O-C-N 124.098 0.874 . . . . 71.31 111.36 -176.17 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 47.9 m0 -66.43 -46.68 75.66 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 123.95 0.781 . . . . 74.13 111.026 -178.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.448 ' O ' ' HG2' ' A' ' 102' ' ' GLN . 34.2 tp -60.86 -41.57 96.19 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 124.032 0.833 . . . . 71.34 110.953 -177.559 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.479 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 63.9 mm-40 -75.6 -30.96 59.76 Favored 'General case' 0 N--CA 1.479 1.017 0 O-C-N 123.858 0.724 . . . . 75.1 110.693 179.589 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.59 -33.55 76.18 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.16 0.584 . . . . 72.32 110.498 178.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -75.99 -19.7 58.49 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 115.447 -0.797 . . . . 74.33 112.131 178.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.448 ' HG2' ' O ' ' A' ' 98' ' ' LEU . 74.6 mm-40 -78.2 149.97 33.59 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.452 0.701 . . . . 73.5 109.229 177.528 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -57.01 112.13 1.25 Allowed 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.775 0.83 . . . . 74.14 111.992 -177.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 45.6 t30 . . . . . 0 CA--C 1.562 1.413 0 O-C-N 124.6 1.187 . . . . 74.44 109.879 177.833 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.029 0 N-CA-C 109.788 -0.449 . . . . 73.42 109.788 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 31.9 t70 60.86 100.45 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.982 1.313 . . . . 74.31 111.645 -178.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -146.56 -37.73 0.23 Allowed 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.78 0.832 . . . . 73.22 110.267 -174.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -63.31 -34.93 78.77 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.648 0.779 . . . . 45.21 110.871 -176.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.478 HD12 ' HE2' ' A' ' 35' ' ' LYS . 21.1 mt -57.76 -44.42 85.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 124.087 0.955 . . . . 74.22 110.994 173.441 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.71 -25.93 68.15 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.486 0.715 . . . . 63.43 111.439 -179.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -69.74 -38.69 76.91 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.083 0.553 . . . . 73.35 110.55 175.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -77.24 -26.85 53.0 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 122.981 0.513 . . . . 65.54 110.846 177.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -69.25 -37.93 78.2 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.69 0.796 . . . . 72.33 110.192 173.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 54.1 tptt -71.47 -33.36 69.23 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 123.701 0.626 . . . . 74.12 109.904 175.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.3 -30.2 67.13 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 115.707 -0.679 . . . . 54.21 110.695 173.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.553 ' CE2' ' HG ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER -92.88 -174.27 3.55 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 123.353 0.661 . . . . 75.51 109.825 177.185 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.469 ' H ' ' HD1' ' A' ' 12' ' ' TYR . 11.5 mptt 55.99 -174.08 0.06 Allowed 'General case' 0 C--N 1.364 1.2 0 C-N-CA 124.659 1.184 . . . . 75.52 110.259 -163.234 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.6 tttm 63.33 0.14 0.75 Allowed 'General case' 0 CA--C 1.564 1.511 0 N-CA-C 113.251 0.834 . . . . 73.54 113.251 176.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.445 ' HB1' ' HE2' ' A' ' 24' ' ' MET . . . -77.6 -34.62 53.43 Favored 'General case' 0 C--N 1.349 0.585 0 C-N-CA 123.3 0.64 . . . . 63.01 110.239 -173.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -73.33 -18.31 61.2 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 115.23 -0.896 . . . . 75.13 110.133 -174.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -59.46 -43.35 93.24 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.443 1.097 . . . . 75.12 110.958 177.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.2 tt -117.45 -10.37 10.69 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.56 0.744 . . . . 74.43 110.957 -175.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.3 t30 67.65 83.08 0.17 Allowed 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 124.142 0.977 . . . . 74.33 108.972 -167.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -124.89 14.6 8.57 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 124.012 0.925 . . . . 73.43 111.211 -175.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.28 78.58 0.04 OUTLIER Glycine 0 C--N 1.359 1.852 0 O-C-N 124.191 0.932 . . . . 75.42 113.201 -177.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -167.81 -61.61 0.03 OUTLIER 'General case' 0 CA--C 1.523 -0.077 0 N-CA-C 106.319 -1.734 . . . . 63.31 106.319 -173.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.6 mt -52.72 -40.36 62.95 Favored 'General case' 0 N--CA 1.483 1.182 0 O-C-N 125.011 1.444 . . . . 62.54 111.704 -175.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.445 ' HE2' ' HB1' ' A' ' 15' ' ' ALA . 3.5 mpp? -82.15 -146.8 0.07 Allowed 'General case' 0 CA--C 1.555 1.154 0 CA-C-N 114.672 -1.149 . . . . 73.42 110.108 176.54 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.55 -64.6 4.26 Favored Glycine 0 C--N 1.353 1.516 0 N-CA-C 110.39 -1.084 . . . . 63.12 110.39 -170.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 36.9 ptt180 -55.12 -25.87 34.53 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.431 1.093 . . . . 73.22 112.311 173.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.17 -50.39 73.85 Favored 'General case' 0 C--N 1.351 0.673 0 C-N-CA 123.262 0.625 . . . . 73.21 110.347 173.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.581 HD21 HD12 ' A' ' 31' ' ' ILE . 75.7 mt -67.85 -35.84 79.28 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 122.426 0.29 . . . . 75.04 111.245 177.212 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -56.81 -44.66 82.2 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 122.955 0.502 . . . . 75.45 110.536 176.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.83 -35.65 77.23 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 115.697 -0.683 . . . . 73.33 110.962 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.581 HD12 HD21 ' A' ' 28' ' ' LEU . 88.5 mt -62.64 -38.96 82.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 123.114 0.565 . . . . 73.43 109.839 173.093 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.67 -38.22 95.91 Favored Glycine 0 C--N 1.349 1.269 0 O-C-N 124.171 0.919 . . . . 53.31 112.107 177.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 93.4 mt -62.35 -42.36 99.33 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 122.898 0.479 . . . . 75.15 110.103 177.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -64.88 -46.9 79.83 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 124.172 0.92 . . . . 74.44 110.837 179.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.478 ' HE2' HD12 ' A' ' 5' ' ' ILE . 73.2 mmtt -58.03 -50.2 74.24 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.412 0.685 . . . . 71.52 110.339 178.721 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -63.03 -36.56 83.99 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.379 1.072 . . . . 72.44 110.489 -176.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -67.56 -33.8 75.78 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.905 1.282 . . . . 73.35 111.249 177.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 75.1 mtm -85.42 -0.05 53.68 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.611 0.765 . . . . 73.15 111.572 177.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 95.46 -8.86 69.23 Favored Glycine 0 C--N 1.35 1.325 0 C-N-CA 122.978 0.323 . . . . 71.23 112.977 178.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 51.7 mttm -81.11 55.68 2.58 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.818 1.247 . . . . 75.42 110.929 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.404 ' HB1' ' HA ' ' A' ' 78' ' ' ILE . . . -67.77 -19.24 65.08 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.022 0.529 . . . . 65.35 111.654 179.386 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.681 ' HG2' ' HA3' ' A' ' 83' ' ' GLY . 0.0 OUTLIER -63.85 -56.34 16.13 Favored 'General case' 0 C--N 1.358 0.945 0 N-CA-C 108.044 -1.095 . . . . 72.43 108.044 172.624 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -66.46 -34.17 77.33 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 115.081 -0.963 . . . . 73.51 110.552 -178.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.81 -43.34 98.32 Favored 'General case' 0 C--N 1.352 0.713 0 C-N-CA 124.234 1.014 . . . . 74.13 111.296 179.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.09 -36.69 73.22 Favored 'General case' 0 C--N 1.352 0.675 0 O-C-N 124.566 1.166 . . . . 73.22 111.63 -179.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -59.36 -53.23 60.61 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.682 0.793 . . . . 73.44 110.812 174.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.511 ' HD1' HD22 ' A' ' 28' ' ' LEU . 72.2 m-85 -66.19 -34.08 77.22 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 115.298 -0.865 . . . . 74.33 112.385 -175.008 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -69.22 -34.72 75.29 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.074 0.549 . . . . 75.11 110.769 177.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -71.9 -48.51 45.09 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.016 0.526 . . . . 73.33 110.605 -179.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 72.8 mtp180 -63.41 -31.53 72.71 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 124.259 0.974 . . . . 74.33 110.764 179.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.59 -48.53 66.57 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 123.606 0.762 . . . . 72.34 109.912 173.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.4 -33.29 72.27 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 124.225 0.953 . . . . 75.53 111.965 -177.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 96.7 mt -57.32 -45.46 85.16 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 C-N-CA 123.642 0.777 . . . . 75.32 110.621 175.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 25.8 t -62.43 -49.9 82.05 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 123.661 0.784 . . . . 74.41 110.266 -177.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -67.73 -28.57 67.76 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 115.537 -0.756 . . . . 74.2 111.979 -179.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -68.63 -47.58 66.26 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 122.919 0.488 . . . . 72.01 110.805 178.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -60.24 -40.55 90.64 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.326 0.651 . . . . 75.42 111.428 175.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -81.59 -3.37 53.15 Favored 'General case' 0 C--O 1.24 0.572 0 CA-C-N 115.554 -0.748 . . . . 73.23 111.713 178.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 59.23 24.53 12.98 Favored 'General case' 0 C--N 1.361 1.08 0 C-N-CA 125.333 1.453 . . . . 72.2 112.566 174.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -86.04 100.74 12.37 Favored 'General case' 0 C--O 1.24 0.574 0 N-CA-C 108.288 -1.004 . . . . 75.03 108.288 177.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 66.6 p -67.68 -25.13 65.54 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.099 0.96 . . . . 72.52 112.475 -174.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -65.95 -58.15 6.2 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.309 0.643 . . . . 71.31 110.545 -177.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -70.31 -32.06 68.61 Favored Glycine 0 C--N 1.346 1.088 0 O-C-N 124.287 0.992 . . . . 74.15 112.628 -177.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 53.6 tp -65.08 -47.09 78.51 Favored 'General case' 0 C--N 1.349 0.56 0 C-N-CA 123.317 0.647 . . . . 74.13 110.06 176.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 -67.07 -39.19 86.79 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.899 0.879 . . . . 72.42 110.209 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 51.6 ttm-85 -61.42 -47.15 87.08 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.466 1.106 . . . . 75.14 110.181 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.503 ' O ' ' HB2' ' A' ' 71' ' ' LEU . . . -75.05 -31.92 61.41 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 115.236 -0.893 . . . . 72.24 111.475 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.12 -46.17 71.63 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.825 0.85 . . . . 74.02 111.405 -179.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.679 ' HB3' ' HZ2' ' A' ' 69' ' ' LYS . 9.4 mtpm? -67.22 -49.76 63.34 Favored 'General case' 0 C--N 1.342 0.266 0 CA-C-N 114.961 -1.018 . . . . 63.5 110.38 178.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.9 t -63.19 -29.58 70.9 Favored 'General case' 0 C--N 1.355 0.839 0 O-C-N 124.132 0.895 . . . . 63.42 110.933 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.503 ' HB2' ' O ' ' A' ' 67' ' ' ALA . 1.4 tt -61.16 -55.4 32.69 Favored 'General case' 0 C--N 1.361 1.069 0 N-CA-C 108.654 -0.869 . . . . 72.4 108.654 173.637 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.8 tmtt? -60.87 -36.33 78.91 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 124.817 1.247 . . . . 73.55 111.468 -178.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -70.94 -31.02 67.49 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.195 0.998 . . . . 71.25 110.323 178.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.416 ' O ' HG13 ' A' ' 78' ' ' ILE . . . -72.98 -33.07 65.6 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.132 0.573 . . . . 70.24 110.778 173.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.659 HG21 ' HG2' ' A' ' 88' ' ' LYS . 32.4 mm -62.82 -51.34 73.16 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 O-C-N 123.873 0.733 . . . . 75.12 111.113 -177.36 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 33.7 p -74.01 -4.67 36.76 Favored 'General case' 0 CA--C 1.552 1.023 0 CA-C-N 114.76 -1.109 . . . . 75.21 111.715 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -107.05 -4.89 18.48 Favored 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 124.107 0.963 . . . . 75.11 112.543 174.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.416 HG13 ' O ' ' A' ' 74' ' ' ALA . 63.6 mt -57.58 124.82 69.95 Favored Pre-proline 0 N--CA 1.493 1.723 0 C-N-CA 123.064 0.546 . . . . 75.03 111.763 -175.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -74.33 150.77 42.16 Favored 'Trans proline' 0 C--N 1.377 2.036 0 C-N-CA 122.354 2.036 . . . . 64.34 110.887 173.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 67.59 167.21 0.24 Allowed 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 124.651 1.18 . . . . 65.43 111.636 -179.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -73.26 -25.95 60.9 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 115.851 -0.613 . . . . 65.31 110.408 175.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -72.54 145.15 47.65 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.694 -0.684 . . . . 74.1 110.167 176.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.681 ' HA3' ' HG2' ' A' ' 42' ' ' ARG . . . 89.52 -30.79 5.49 Favored Glycine 0 C--N 1.341 0.834 0 CA-C-O 119.173 -0.793 . . . . 54.43 114.643 -175.171 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.55 ' O ' ' HB2' ' A' ' 88' ' ' LYS . 23.2 mmt180 -53.89 -56.05 21.21 Favored 'General case' 0 C--N 1.351 0.66 0 C-N-CA 123.252 0.621 . . . . 72.34 111.808 -173.493 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -69.27 -57.46 5.3 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 123.906 0.754 . . . . 74.14 111.459 -175.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -57.39 -41.61 80.59 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.148 0.979 . . . . 74.43 111.673 -171.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.562 ' HA ' ' HE2' ' A' ' 90' ' ' MET . . . -77.29 -31.48 54.83 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.415 -0.812 . . . . 61.35 111.65 -178.261 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.659 ' HG2' HG21 ' A' ' 75' ' ' ILE . 6.8 tmtt? -63.4 -37.3 86.77 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.327 0.651 . . . . 73.12 109.506 -179.617 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -60.29 -38.57 84.03 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.81 0.844 . . . . 75.52 110.665 176.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.562 ' HE2' ' HA ' ' A' ' 87' ' ' ALA . 34.7 mtm -70.88 -35.64 72.43 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 115.258 -0.883 . . . . 75.0 110.758 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.62 -33.33 75.37 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.549 0.74 . . . . 74.12 110.696 176.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -63.25 -47.35 82.82 Favored 'General case' 0 C--N 1.358 0.947 0 O-C-N 123.844 0.715 . . . . 72.35 109.674 174.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 18.7 mmtp -60.7 -48.11 83.24 Favored 'General case' 0 N--CA 1.481 1.095 0 O-C-N 123.992 0.807 . . . . 55.53 111.995 -177.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.04 -34.11 75.64 Favored 'General case' 0 CA--C 1.55 0.969 0 O-C-N 124.063 0.852 . . . . 72.54 111.628 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -68.65 -41.97 78.59 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 124.696 1.198 . . . . 73.43 109.547 176.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -69.69 -32.54 71.21 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 124.186 0.995 . . . . 73.34 111.872 -178.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 53.3 m0 -66.54 -41.91 87.98 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 123.863 0.727 . . . . 74.32 109.494 176.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 50.3 tp -60.32 -41.71 94.09 Favored 'General case' 0 CA--C 1.55 0.966 0 O-C-N 124.156 0.91 . . . . 75.54 110.835 175.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -62.46 -44.97 95.12 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.644 0.778 . . . . 74.25 111.061 176.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.48 -31.05 70.94 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.027 0.931 . . . . 63.2 111.513 -175.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -74.67 -41.86 59.52 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.494 0.717 . . . . 75.33 110.855 176.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -80.71 81.11 7.04 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.565 -0.743 . . . . 64.45 110.539 179.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 31.1 m-80 -87.28 99.95 12.34 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 108.252 -1.018 . . . . 73.45 108.252 176.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 . . . . . 0 CA--C 1.56 1.348 0 C-N-CA 125.112 1.365 . . . . 72.11 111.43 -178.869 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.532 0 CA-C-O 120.597 0.237 . . . . 73.25 111.19 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -74.41 89.42 2.12 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 109.221 -0.659 . . . . 74.25 109.221 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -92.83 -66.43 0.92 Allowed 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.982 0.913 . . . . 70.44 110.077 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -60.52 -42.14 95.84 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 115.009 -0.996 . . . . 72.41 109.681 -179.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.574 HG23 HG23 ' A' ' 31' ' ' ILE . 83.9 mt -59.24 -50.98 77.86 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 C-N-CA 125.313 1.445 . . . . 73.33 111.485 177.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.68 -30.46 71.56 Favored 'General case' 0 N--CA 1.48 1.026 0 O-C-N 123.4 0.437 . . . . 72.52 111.822 178.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -69.24 -37.53 78.01 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.028 0.931 . . . . 64.2 110.085 177.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -77.41 -25.43 50.78 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 122.914 0.485 . . . . 73.5 111.414 177.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -71.37 -36.52 71.47 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 109.982 -0.377 . . . . 74.31 109.982 171.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -72.59 -27.37 62.14 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.076 0.55 . . . . 74.42 109.537 176.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.85 -34.83 64.67 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 122.993 0.517 . . . . 72.11 110.705 173.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.588 ' CE2' ' HG ' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -80.38 110.94 16.31 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.686 0.794 . . . . 72.13 109.227 179.404 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.595 ' HB3' ' HZ2' ' A' ' 13' ' ' LYS . 6.4 ttpm? -87.7 141.12 28.85 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 108.598 -0.89 . . . . 74.24 108.598 168.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -42.47 119.16 1.34 Allowed 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 125.285 1.434 . . . . 75.32 112.455 -176.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -172.21 90.76 0.11 Allowed 'General case' 0 C--N 1.354 0.773 0 C-N-CA 123.416 0.686 . . . . 74.32 111.281 178.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -112.65 13.57 19.94 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.286 1.034 . . . . 71.34 109.49 168.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -146.9 174.25 11.67 Favored 'General case' 0 C--O 1.247 0.953 0 C-N-CA 124.808 1.243 . . . . 73.44 108.414 -172.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 65.8 mt 75.26 144.16 0.08 Allowed 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 125.447 1.499 . . . . 74.33 110.056 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -75.51 80.17 2.53 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-O 121.757 0.789 . . . . 71.0 109.541 178.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -153.03 158.78 42.49 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 114.72 -1.127 . . . . 74.24 109.417 -175.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.583 ' HA2' ' SD ' ' A' ' 24' ' ' MET . . . -163.37 -177.27 36.14 Favored Glycine 0 C--O 1.246 0.886 0 CA-C-N 115.451 -0.795 . . . . 71.04 112.127 -178.656 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 73.13 -55.41 0.68 Allowed 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 125.026 1.33 . . . . 73.43 112.35 -178.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.7 mt -54.76 -36.2 64.6 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 124.287 1.035 . . . . 72.21 110.301 172.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.583 ' SD ' ' HA2' ' A' ' 21' ' ' GLY . 1.6 pmm? -120.35 172.02 8.1 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 114.338 -1.301 . . . . 74.3 109.116 175.172 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.8 -58.3 4.98 Favored Glycine 0 C--N 1.341 0.822 0 CA-C-N 116.258 -0.428 . . . . 52.44 112.591 -177.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 48.1 ttt85 -61.94 -30.13 70.7 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.873 0.869 . . . . 74.13 111.951 -174.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.43 -33.74 65.08 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 122.744 0.418 . . . . 64.44 110.86 178.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.588 ' HG ' ' CE2' ' A' ' 12' ' ' TYR . 69.7 mt -65.19 -42.05 93.99 Favored 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 109.754 -0.462 . . . . 74.43 109.754 172.217 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.417 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 58.8 t80 -55.52 -43.65 75.9 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.633 0.773 . . . . 73.12 109.929 174.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.425 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 14.8 m120 -65.03 -42.13 94.62 Favored 'General case' 0 C--N 1.347 0.488 0 CA-C-N 115.741 -0.663 . . . . 74.12 111.393 178.693 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.574 HG23 HG23 ' A' ' 5' ' ' ILE . 96.6 mt -59.61 -41.54 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 O-C-N 123.727 0.642 . . . . 63.43 109.999 175.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.85 -41.37 99.88 Favored Glycine 0 C--N 1.344 1.027 0 O-C-N 124.188 0.93 . . . . 73.21 112.48 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 29' ' ' TYR . 88.0 mt -59.06 -39.21 81.37 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.151 0.58 . . . . 74.11 110.346 178.014 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' A' ' 30' ' ' ASN . 22.6 mm-40 -77.28 -38.72 50.26 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 123.802 0.689 . . . . 74.11 111.228 -178.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.41 ' HE2' HD13 ' A' ' 5' ' ' ILE . 71.6 mmtt -57.88 -44.03 86.42 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.214 0.606 . . . . 71.24 109.717 176.286 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -61.8 -30.32 70.74 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-N 114.97 -1.014 . . . . 74.44 110.664 -178.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.414 ' HG2' ' O ' ' A' ' 33' ' ' LEU . 46.1 mmtm -76.3 -33.73 59.07 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.243 0.617 . . . . 72.05 110.393 178.025 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 89.7 mtp -75.84 -6.8 52.48 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.673 0.789 . . . . 74.52 111.634 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 96.95 -5.53 63.7 Favored Glycine 0 C--N 1.353 1.514 0 C-N-CA 123.222 0.439 . . . . 73.14 112.043 -177.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 47.6 mttm -87.39 62.63 7.28 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.66 1.184 . . . . 62.45 110.604 -177.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.89 -21.62 60.88 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 122.881 0.472 . . . . 54.22 111.773 -177.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.615 ' HG3' ' HA3' ' A' ' 83' ' ' GLY . 5.7 tmm_? -72.66 -48.39 39.58 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.536 0.735 . . . . 74.44 109.888 176.188 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -61.22 -42.33 98.42 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 109.409 -0.589 . . . . 74.32 109.409 174.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.89 -47.83 70.71 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 124.417 1.073 . . . . 74.24 110.678 177.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.21 -38.71 77.3 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 124.459 1.1 . . . . 72.24 111.439 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.468 ' HB3' ' NH1' ' A' ' 50' ' ' ARG . 62.8 mt-10 -68.63 -37.18 79.52 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.252 0.621 . . . . 74.35 111.615 178.364 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.491 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 51.6 m-85 -74.29 -31.67 62.6 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.244 0.618 . . . . 75.52 111.478 179.506 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -71.15 -34.59 71.13 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 123.619 0.574 . . . . 75.33 109.968 174.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.448 ' O ' HG13 ' A' ' 53' ' ' ILE . 60.7 t80 -68.94 -52.49 28.62 Favored 'General case' 0 C--N 1.347 0.459 0 CA-C-N 116.055 -0.521 . . . . 75.4 110.644 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.468 ' NH1' ' HB3' ' A' ' 46' ' ' GLU . 64.7 mtt85 -67.19 -30.03 69.86 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.71 0.804 . . . . 72.24 111.353 -177.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.04 -51.22 67.56 Favored 'General case' 0 C--O 1.238 0.457 0 O-C-N 123.68 0.613 . . . . 45.42 109.553 169.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.428 ' HB1' HD12 ' A' ' 64' ' ' LEU . . . -59.76 -33.39 71.61 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 114.878 -1.055 . . . . 75.33 112.062 -176.696 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' ' 49' ' ' PHE . 90.6 mt -57.95 -49.45 81.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 123.694 0.798 . . . . 74.31 110.439 176.558 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 82.4 t -60.92 -47.09 95.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 123.194 0.598 . . . . 75.54 110.944 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -65.03 -29.06 69.94 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 115.877 -0.601 . . . . 74.21 111.723 -179.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -74.56 -46.02 41.59 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.233 0.613 . . . . 73.01 110.618 178.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -55.41 -44.2 75.99 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.486 0.715 . . . . 72.43 111.053 172.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -78.48 -13.84 59.65 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 115.249 -0.887 . . . . 60.14 110.722 -179.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 61.53 28.2 17.53 Favored 'General case' 0 C--N 1.354 0.786 0 C-N-CA 124.791 1.237 . . . . 75.41 112.064 -178.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -81.2 88.63 6.02 Favored 'General case' 0 C--O 1.24 0.562 0 N-CA-C 108.059 -1.089 . . . . 72.43 108.059 170.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 23.5 m -57.93 -28.58 64.41 Favored 'General case' 0 CA--C 1.55 0.98 0 CA-C-N 114.354 -1.294 . . . . 74.14 111.969 -178.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -64.65 -58.41 6.39 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.097 0.959 . . . . 72.4 111.483 -178.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -71.22 -31.4 66.32 Favored Glycine 0 C--N 1.342 0.903 0 CA-C-N 115.636 -0.711 . . . . 64.43 112.508 -178.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.428 HD12 ' HB1' ' A' ' 52' ' ' ALA . 62.1 tp -60.36 -42.47 95.82 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.159 0.584 . . . . 72.23 109.62 172.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -68.8 -38.38 79.9 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 124.038 0.836 . . . . 74.12 110.342 -179.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 26.9 mmt180 -61.25 -46.93 88.34 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 123.667 0.604 . . . . 75.52 110.681 176.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -73.28 -32.95 64.97 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.558 0.743 . . . . 73.12 111.295 -178.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.88 -45.19 62.14 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.538 0.735 . . . . 71.02 110.602 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -64.48 -41.65 96.36 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 124.506 1.129 . . . . 71.5 110.153 -179.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 65.7 m -68.1 -33.79 75.18 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 115.745 -0.661 . . . . 71.41 111.475 177.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.25 -54.35 21.75 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.316 0.646 . . . . 74.54 110.492 -177.563 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -65.42 -32.25 73.78 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 115.328 -0.851 . . . . 74.42 112.138 -174.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -87.98 -15.69 35.77 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 122.735 0.414 . . . . 74.13 110.849 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.75 -25.51 60.2 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 122.684 0.394 . . . . 70.12 110.853 175.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.564 HG22 ' HD3' ' A' ' 88' ' ' LYS . 37.9 mm -60.25 -42.62 91.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 O-C-N 124.111 0.882 . . . . 74.33 111.492 -175.159 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 39.7 p -70.87 -20.46 62.52 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 122.995 0.518 . . . . 74.2 111.864 -178.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.67 -14.01 33.09 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.553 0.741 . . . . 75.33 111.57 177.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.482 HG22 ' HB2' ' A' ' 42' ' ' ARG . 58.3 mt -61.73 133.52 93.61 Favored Pre-proline 0 N--CA 1.48 1.052 0 C-N-CA 123.337 0.655 . . . . 74.32 110.159 178.72 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -53.44 160.32 5.19 Favored 'Trans proline' 0 C--N 1.374 1.9 0 C-N-CA 123.049 2.499 . . . . 75.33 113.12 171.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -75.56 64.59 1.66 Allowed 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.582 0.753 . . . . 71.41 110.936 -179.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -129.63 -177.7 4.38 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.358 0.663 . . . . 74.22 110.368 -172.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -57.0 -32.07 65.73 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.106 1.363 . . . . 74.03 111.797 -178.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.615 ' HA3' ' HG3' ' A' ' 42' ' ' ARG . . . -68.65 -14.57 67.5 Favored Glycine 0 C--N 1.341 0.839 0 CA-C-N 115.026 -0.988 . . . . 75.04 114.528 -176.479 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 13.3 mmt180 -57.91 -52.02 67.24 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.129 0.572 . . . . 72.44 111.147 176.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.27 -54.45 24.73 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.771 0.828 . . . . 74.3 110.594 -171.585 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -65.62 -42.29 91.71 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 123.58 0.752 . . . . 71.21 111.864 -175.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.589 ' HA ' ' HE2' ' A' ' 90' ' ' MET . . . -71.09 -31.07 67.34 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 122.438 0.295 . . . . 74.35 111.724 -178.018 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.564 ' HD3' HG22 ' A' ' 75' ' ' ILE . 55.8 tptt -58.11 -41.61 83.93 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 123.921 0.763 . . . . 75.02 110.218 175.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -69.71 -30.24 67.82 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 115.505 -0.77 . . . . 73.11 111.55 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.589 ' HE2' ' HA ' ' A' ' 87' ' ' ALA . 43.3 mtm -69.5 -39.16 77.76 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 122.779 0.432 . . . . 74.15 110.6 175.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.34 -38.5 84.0 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 115.572 -0.74 . . . . 72.22 110.312 175.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.459 ' HG3' ' O ' ' A' ' 88' ' ' LYS . 91.5 mttt -60.62 -45.96 92.06 Favored 'General case' 0 C--N 1.351 0.666 0 O-C-N 124.203 0.939 . . . . 74.24 110.332 176.126 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 18.6 mmtm -61.26 -40.76 95.29 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.43 0.692 . . . . 74.42 111.629 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.53 -39.17 90.09 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 123.991 0.807 . . . . 74.43 110.856 179.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -69.88 -40.17 75.87 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.599 0.759 . . . . 55.14 110.863 177.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' A' ' 92' ' ' LYS . 47.5 mt-10 -62.71 -40.65 97.84 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.603 0.761 . . . . 73.42 110.703 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 51.6 m0 -66.03 -42.58 89.41 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.081 -0.963 . . . . 75.45 110.482 176.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 34.0 tp -62.85 -38.18 89.8 Favored 'General case' 0 CA--C 1.546 0.816 0 O-C-N 123.889 0.743 . . . . 75.13 110.769 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -73.48 -31.78 63.95 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.145 0.578 . . . . 73.14 110.84 177.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.29 -41.89 80.31 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.249 0.62 . . . . 63.42 110.921 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -69.6 -53.35 19.23 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.636 -0.711 . . . . 70.11 110.3 177.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -79.66 9.48 5.02 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 115.314 -0.857 . . . . 74.23 111.93 -176.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -64.86 -47.34 78.24 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 122.767 0.427 . . . . 73.15 109.875 175.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 3.8 t30 . . . . . 0 C--O 1.248 1.013 0 N-CA-C 108.058 -1.09 . . . . 74.21 108.058 173.524 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.8 0 N-CA-C 108.351 -0.981 . . . . 75.21 108.351 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -128.39 103.03 6.91 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 114.602 -1.181 . . . . 73.54 110.906 -165.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -113.63 -64.57 1.29 Allowed 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.217 1.007 . . . . 74.41 108.535 173.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -72.74 -23.94 60.9 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 124.263 1.025 . . . . 72.4 110.481 -179.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.454 HG12 ' HB3' ' A' ' 34' ' ' GLU . 34.8 mt -65.01 -39.91 87.26 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 124.316 1.047 . . . . 73.12 110.435 176.411 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.27 -26.09 66.2 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.856 0.862 . . . . 74.11 112.122 -178.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -69.43 -42.98 74.28 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.128 0.571 . . . . 73.22 110.435 176.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -65.59 -39.11 91.23 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 123.637 0.775 . . . . 75.03 110.076 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -67.2 -40.25 86.43 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 114.258 -1.337 . . . . 64.23 110.738 178.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -70.72 -32.01 69.05 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 123.399 0.68 . . . . 75.34 111.149 178.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.55 -24.84 67.74 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.587 0.755 . . . . 63.21 112.82 -174.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.589 ' HH ' ' HB3' ' A' ' 15' ' ' ALA . 8.8 t80 -72.07 126.69 30.4 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 110.037 -0.357 . . . . 73.13 110.037 -177.11 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -112.96 -156.36 0.59 Allowed 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 125.01 1.324 . . . . 73.4 110.036 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.552 ' HB2' ' HB3' ' A' ' 17' ' ' GLU . 16.2 ptpt -78.35 83.18 4.59 Favored 'General case' 0 CA--C 1.558 1.285 0 CA-C-O 121.857 0.837 . . . . 75.23 112.019 -177.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.589 ' HB3' ' HH ' ' A' ' 12' ' ' TYR . . . -92.81 -7.76 45.5 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-N 115.383 -0.826 . . . . 33.33 111.822 178.09 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.45 -33.37 5.28 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.921 0.889 . . . . 74.41 109.519 -176.015 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.552 ' HB3' ' HB2' ' A' ' 14' ' ' LYS . 37.7 tt0 -74.28 -35.93 63.77 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.745 0.818 . . . . 73.31 110.38 177.611 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 73.1 mt -124.66 145.46 49.64 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.201 1.001 . . . . 75.51 109.386 175.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -77.49 87.0 3.83 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 108.977 -0.749 . . . . 74.32 108.977 174.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -159.8 29.68 0.18 Allowed 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.128 0.971 . . . . 73.31 109.401 178.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -73.93 -0.79 57.33 Favored Glycine 0 C--N 1.35 1.306 0 CA-C-N 115.299 -0.864 . . . . 64.23 114.215 -174.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -67.77 -31.44 71.34 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.556 0.742 . . . . 73.02 109.817 170.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.5 mt -72.76 -17.82 61.56 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 124.009 0.924 . . . . 62.32 110.296 177.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 12.7 mtm -127.74 -153.97 0.6 Allowed 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.424 1.49 . . . . 73.21 108.947 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.83 -58.63 4.91 Favored Glycine 0 C--N 1.352 1.421 0 N-CA-C 111.668 -0.573 . . . . 75.22 111.668 -179.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -55.85 -32.17 63.4 Favored 'General case' 0 C--N 1.348 0.543 0 C-N-CA 124.758 1.223 . . . . 75.52 110.035 168.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.481 ' O ' HG13 ' A' ' 31' ' ' ILE . . . -60.82 -53.37 58.12 Favored 'General case' 0 C--N 1.355 0.81 0 O-C-N 123.726 0.641 . . . . 74.32 110.774 175.36 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.545 ' HA ' HD13 ' A' ' 31' ' ' ILE . 19.5 mt -59.28 -40.0 84.74 Favored 'General case' 0 N--CA 1.495 1.804 0 C-N-CA 122.811 0.444 . . . . 73.21 111.433 177.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -62.73 -42.45 99.67 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.792 0.837 . . . . 75.45 110.654 178.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.471 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 5.0 t-20 -68.84 -38.28 79.72 Favored 'General case' 0 C--N 1.35 0.624 0 C-N-CA 123.827 0.851 . . . . 73.52 109.495 -175.183 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.545 HD13 ' HA ' ' A' ' 28' ' ' LEU . 32.7 mt -62.02 -41.99 93.16 Favored 'Isoleucine or valine' 0 C--N 1.357 0.893 0 O-C-N 124.177 0.923 . . . . 64.35 109.832 173.696 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.26 -37.91 92.52 Favored Glycine 0 C--N 1.354 1.529 0 O-C-N 123.863 0.727 . . . . 70.41 112.623 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 62.4 mt -63.46 -36.46 83.84 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.723 0.809 . . . . 74.11 110.203 175.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.471 ' HG2' ' O ' ' A' ' 30' ' ' ASN . 44.9 mm-40 -77.52 -30.59 52.97 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.349 1.06 . . . . 73.32 111.988 -179.092 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.411 ' HG2' ' O ' ' A' ' 31' ' ' ILE . 75.8 mmtt -67.99 -48.49 65.62 Favored 'General case' 0 C--N 1.345 0.406 0 N-CA-C 107.958 -1.127 . . . . 73.21 107.958 174.204 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 35.9 t-20 -60.7 -33.82 73.45 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 124.227 1.011 . . . . 62.01 110.226 178.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.9 ttmp? -59.13 -43.24 91.96 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.588 0.755 . . . . 74.3 110.339 175.156 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 73.2 mtm -80.04 -9.82 59.72 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 115.612 -0.722 . . . . 75.21 112.01 -178.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 90.49 8.39 66.01 Favored Glycine 0 C--N 1.342 0.889 0 N-CA-C 112.652 -0.179 . . . . 71.51 112.652 -175.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt -81.31 80.29 7.75 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.826 0.85 . . . . 70.43 108.793 175.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.49 ' HB1' ' O ' ' A' ' 74' ' ' ALA . . . -78.48 -34.2 47.74 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.562 -0.745 . . . . 70.34 111.888 -173.073 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -65.45 -48.74 71.65 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.472 0.709 . . . . 75.11 109.612 176.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.423 ' O ' ' HD2' ' A' ' 47' ' ' TYR . 44.3 mt-10 -61.04 -46.85 89.03 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 124.037 0.835 . . . . 74.24 109.731 176.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.25 -49.83 66.07 Favored 'General case' 0 C--N 1.358 0.977 0 O-C-N 124.127 0.892 . . . . 41.35 110.666 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.91 -43.94 81.87 Favored 'General case' 0 CA--C 1.55 0.952 0 O-C-N 124.483 1.114 . . . . 73.04 112.023 -178.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -72.03 -38.7 69.51 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.104 0.562 . . . . 64.34 111.813 -178.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.423 ' HD2' ' O ' ' A' ' 43' ' ' GLU . 41.3 m-85 -67.75 -30.39 69.85 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.533 0.733 . . . . 75.41 110.469 177.023 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -75.33 -35.5 61.2 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.487 0.715 . . . . 72.22 110.972 174.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -70.08 -52.8 20.94 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 123.579 0.549 . . . . 73.24 110.55 -177.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.462 ' O ' HG21 ' A' ' 54' ' ' VAL . 61.6 mtp180 -61.09 -37.24 82.01 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 115.279 -0.873 . . . . 74.44 110.583 178.465 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.11 -47.13 87.17 Favored 'General case' 0 C--N 1.355 0.841 0 O-C-N 123.763 0.664 . . . . 64.01 110.312 173.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.08 -31.76 73.08 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.735 0.814 . . . . 40.21 111.621 -178.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 95.4 mt -62.7 -47.17 94.18 Favored 'Isoleucine or valine' 0 C--N 1.358 0.955 0 C-N-CA 123.435 0.694 . . . . 73.4 109.872 174.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.462 HG21 ' O ' ' A' ' 50' ' ' ARG . 47.8 t -68.89 -41.27 81.98 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.852 0 C-N-CA 123.506 0.722 . . . . 71.22 110.761 -177.534 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -62.07 -38.16 87.76 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.672 0.789 . . . . 75.54 110.353 176.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.444 ' CD1' ' HB3' ' A' ' 97' ' ' TRP . 50.0 t80 -69.58 -44.88 69.92 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.055 0.542 . . . . 73.33 111.235 179.565 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -54.54 -44.52 72.91 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 124.103 0.961 . . . . 75.54 111.865 174.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -83.84 -10.63 57.9 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 115.99 -0.55 . . . . 74.33 111.157 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 65.1 m-70 60.68 30.51 19.76 Favored 'General case' 0 C--N 1.355 0.81 0 C-N-CA 124.903 1.281 . . . . 71.22 111.705 -177.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -80.44 90.64 5.65 Favored 'General case' 0 C--O 1.244 0.8 0 N-CA-C 107.341 -1.355 . . . . 63.53 107.341 171.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 18.2 m -69.52 -26.12 64.37 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 114.597 -1.183 . . . . 71.24 111.761 -171.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -63.41 -52.11 62.95 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.298 0.639 . . . . 70.32 110.737 -177.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -67.7 -40.53 90.13 Favored Glycine 0 C--N 1.348 1.203 0 CA-C-N 115.052 -0.976 . . . . 73.25 112.179 178.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 62.2 tp -60.22 -36.92 78.79 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.615 1.166 . . . . 75.31 111.08 177.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 28.4 ttp180 -65.58 -51.2 61.54 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.634 1.174 . . . . 75.22 110.81 -179.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 48.0 ttt-85 -73.72 -30.43 62.84 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 114.75 -1.114 . . . . 74.24 110.063 -175.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.471 ' O ' ' HB2' ' A' ' 71' ' ' LEU . . . -69.95 -35.19 74.3 Favored 'General case' 0 C--N 1.353 0.746 0 C-N-CA 123.473 0.709 . . . . 70.25 111.107 177.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.1 -41.12 96.09 Favored 'General case' 0 N--CA 1.478 0.96 0 O-C-N 123.84 0.712 . . . . 73.11 111.402 178.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -75.85 -50.94 13.68 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 115.547 -0.752 . . . . 73.41 111.044 178.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 55.2 m -59.69 -30.05 68.51 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.238 0.615 . . . . 74.25 111.783 -176.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.471 ' HB2' ' O ' ' A' ' 67' ' ' ALA . 0.6 OUTLIER -60.83 -55.5 32.34 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 123.873 0.869 . . . . 75.43 109.543 178.182 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.574 ' HA ' HD11 ' A' ' 75' ' ' ILE . 18.6 ptpt -68.69 -29.61 68.1 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 112.289 0.477 . . . . 72.42 112.289 -175.574 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -70.3 -35.16 73.5 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.861 0.464 . . . . 64.34 110.608 177.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.49 ' O ' ' HB1' ' A' ' 41' ' ' ALA . . . -67.69 -38.31 83.52 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 116.13 -0.486 . . . . 72.23 110.334 172.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.76 HD13 ' HA ' ' A' ' 88' ' ' LYS . 64.6 mt -65.35 -41.4 91.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 123.562 0.745 . . . . 72.32 112.548 -177.681 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 73.1 p -62.48 -24.89 67.71 Favored 'General case' 0 CA--C 1.551 1.003 0 O-C-N 123.381 0.426 . . . . 75.22 110.836 176.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -89.81 -16.83 29.33 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.973 0.909 . . . . 75.23 112.394 178.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.428 HG21 ' HA3' ' A' ' 83' ' ' GLY . 69.3 mt -64.12 124.96 87.08 Favored Pre-proline 0 N--CA 1.491 1.606 0 N-CA-C 109.155 -0.683 . . . . 73.31 109.155 176.15 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -60.58 152.96 64.78 Favored 'Trans proline' 0 C--N 1.375 1.931 0 C-N-CA 122.561 2.174 . . . . 62.2 111.228 171.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.533 ' HA ' ' HG3' ' A' ' 84' ' ' ARG . 46.0 mt-10 -66.29 78.24 0.1 Allowed 'General case' 0 N--CA 1.482 1.156 0 CA-C-O 122.023 0.916 . . . . 74.44 111.501 -177.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -149.12 -151.75 0.41 Allowed 'General case' 0 C--O 1.252 1.237 0 C-N-CA 125.727 1.611 . . . . 75.12 107.157 -175.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.6 mp0 -59.43 104.17 0.25 Allowed 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.14 0.976 . . . . 72.52 108.898 170.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.428 ' HA3' HG21 ' A' ' 78' ' ' ILE . . . 143.36 -32.37 1.87 Allowed Glycine 0 C--N 1.339 0.738 0 N-CA-C 112.073 -0.411 . . . . 71.22 112.073 -179.549 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.533 ' HG3' ' HA ' ' A' ' 80' ' ' GLU . 9.0 mmm180 -88.33 134.62 33.77 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 107.286 -1.376 . . . . 74.55 107.286 172.684 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 24.4 tptp 55.47 42.76 29.54 Favored 'General case' 0 N--CA 1.486 1.347 0 CA-C-O 122.725 1.25 . . . . 74.44 110.039 -170.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -157.85 -66.04 0.09 Allowed 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 114.484 -1.235 . . . . 72.4 108.866 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -77.1 -25.84 52.68 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.561 0.745 . . . . 54.02 111.829 177.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.76 ' HA ' HD13 ' A' ' 75' ' ' ILE . 85.5 tttt -59.86 -41.57 91.78 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-O 121.797 0.808 . . . . 72.31 112.436 -172.298 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -73.66 -24.36 59.97 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 114.366 -1.288 . . . . 71.2 110.966 -178.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 28.3 mtm -61.37 -34.78 75.88 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 122.834 0.453 . . . . 75.3 111.302 172.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.435 ' HA ' HD11 ' A' ' 71' ' ' LEU . . . -60.94 -43.53 98.54 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.147 0.579 . . . . 72.12 110.303 175.154 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.522 ' O ' ' HG2' ' A' ' 96' ' ' GLU . 39.3 ttmt -58.19 -43.35 87.49 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 124.538 1.149 . . . . 61.11 110.366 176.374 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -58.8 -45.23 90.35 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.975 0.91 . . . . 75.43 112.008 178.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.79 -33.0 74.29 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.35 0.66 . . . . 65.2 110.784 178.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -74.66 -34.02 62.63 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.731 0.812 . . . . 72.34 111.538 175.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.522 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 10.4 mm-40 -58.95 -46.74 87.28 Favored 'General case' 0 N--CA 1.488 1.437 0 CA-C-O 121.761 0.791 . . . . 74.02 109.903 178.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . 0.444 ' HB3' ' CD1' ' A' ' 56' ' ' TYR . 22.9 m0 -68.66 -37.66 79.81 Favored 'General case' 0 C--N 1.34 0.189 0 CA-C-N 113.719 -1.582 . . . . 72.24 110.343 179.576 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 35.1 tp -63.01 -36.43 83.54 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 115.767 -0.651 . . . . 74.34 111.019 177.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -74.7 -30.62 61.61 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.148 0.579 . . . . 74.43 110.971 177.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.31 -34.35 78.13 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 123.649 0.593 . . . . 74.12 110.49 175.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -78.68 -43.78 25.21 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.626 0.77 . . . . 75.34 110.747 176.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -88.76 28.48 1.14 Allowed 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.796 0.839 . . . . 75.11 111.599 -179.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -69.46 97.28 0.98 Allowed 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 123.331 0.652 . . . . 71.35 109.631 176.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 7.6 t30 . . . . . 0 C--O 1.251 1.172 0 N-CA-C 108.318 -0.993 . . . . 73.32 108.318 -176.552 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.846 0 N-CA-C 111.399 0.148 . . . . 75.24 111.399 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -74.48 0.48 14.56 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 113.875 1.065 . . . . 74.5 113.875 -169.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -64.45 -24.5 67.64 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 122.81 0.444 . . . . 71.43 111.496 174.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -63.97 -33.91 76.79 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 122.845 0.458 . . . . 72.35 111.149 175.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.52 HG22 HG22 ' A' ' 31' ' ' ILE . 70.2 mt -66.02 -47.45 85.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 124.072 0.949 . . . . 73.35 109.594 176.409 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.62 -37.86 68.73 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 124.156 0.91 . . . . 75.24 111.256 178.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -60.59 -45.09 95.27 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 124.279 1.032 . . . . 75.53 111.153 176.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -65.13 -34.34 78.16 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 122.838 0.455 . . . . 73.25 111.118 178.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -72.39 -31.24 65.38 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.739 0.816 . . . . 75.43 111.565 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -74.99 -39.42 61.26 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 124.003 0.921 . . . . 74.12 110.154 174.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.8 -30.9 71.92 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.241 1.016 . . . . 74.53 110.551 177.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.661 ' HA ' ' HG2' ' A' ' 24' ' ' MET . 0.7 OUTLIER -86.72 108.78 18.82 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 108.545 -0.909 . . . . 65.35 108.545 173.249 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -99.64 -59.13 1.78 Allowed 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 122.883 0.473 . . . . 74.53 111.084 -179.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 60.0 tptt -166.97 88.11 0.31 Allowed 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 122.765 0.426 . . . . 71.13 109.916 -172.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.484 ' HB2' ' HE2' ' A' ' 24' ' ' MET . . . -119.22 120.39 36.9 Favored 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 109.857 -0.424 . . . . 60.51 109.857 173.097 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -145.62 -152.29 0.42 Allowed 'General case' 0 C--O 1.243 0.722 0 N-CA-C 106.987 -1.486 . . . . 70.15 106.987 177.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.404 ' HG2' ' HG2' ' A' ' 57' ' ' LYS . 30.4 mt-10 -81.75 67.39 7.71 Favored 'General case' 0 CA--C 1.551 1.012 0 CA-C-O 121.444 0.64 . . . . 75.02 111.184 -177.709 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.407 ' HB2' ' HG2' ' A' ' 20' ' ' GLN . 3.0 mm? -120.89 -166.99 1.41 Allowed 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.456 1.103 . . . . 72.41 108.091 173.627 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 48.9 m-80 -89.24 28.09 1.29 Allowed 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 122.69 0.396 . . . . 74.12 110.851 173.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.407 ' HG2' ' HB2' ' A' ' 18' ' ' LEU . 29.9 pt20 -132.21 155.01 49.01 Favored 'General case' 0 C--O 1.241 0.646 0 C-N-CA 124.792 1.237 . . . . 75.12 108.971 177.04 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.412 ' HA3' ' HG3' ' A' ' 58' ' ' GLU . . . 164.89 -25.03 0.18 Allowed Glycine 0 C--N 1.337 0.598 0 CA-C-N 115.941 -0.572 . . . . 62.14 112.46 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -69.83 -30.31 67.78 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.687 0.795 . . . . 74.42 111.345 176.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 83.0 mt -65.88 -37.35 85.92 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.607 0.763 . . . . 74.33 110.601 178.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.661 ' HG2' ' HA ' ' A' ' 12' ' ' TYR . 21.6 mtm -126.32 -146.63 0.34 Allowed 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.401 1.08 . . . . 74.42 108.598 -173.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.67 -68.14 3.42 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 118.718 0.69 . . . . 55.32 111.749 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -60.75 -23.08 64.68 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.543 1.137 . . . . 75.11 111.942 178.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.425 ' HB3' ' HD2' ' A' ' 12' ' ' TYR . . . -58.9 -45.91 89.15 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.099 0.56 . . . . 72.23 111.495 175.602 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.499 ' HA ' HD12 ' A' ' 31' ' ' ILE . 46.4 mt -62.65 -37.89 88.13 Favored 'General case' 0 N--CA 1.483 1.219 0 O-C-N 123.39 0.431 . . . . 74.53 111.113 174.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -57.16 -45.18 83.86 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 123.728 0.642 . . . . 74.23 111.091 -179.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -66.81 -34.73 78.45 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 122.935 0.494 . . . . 72.04 111.465 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.52 HG22 HG22 ' A' ' 5' ' ' ILE . 75.3 mt -64.76 -37.37 79.98 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 C-N-CA 123.544 0.738 . . . . 75.33 109.979 176.136 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -65.99 -41.66 95.14 Favored Glycine 0 C--N 1.352 1.419 0 CA-C-N 115.267 -0.879 . . . . 74.1 112.584 178.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.9 mt -58.71 -35.83 73.28 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.364 0.666 . . . . 71.22 110.761 177.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.488 ' HA ' ' HE2' ' A' ' 37' ' ' LYS . 51.4 mm-40 -68.82 -46.19 69.26 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 115.362 -0.836 . . . . 74.32 111.304 177.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm -61.89 -34.2 75.6 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.284 0.634 . . . . 74.51 111.697 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -67.07 -41.96 85.5 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.977 0.911 . . . . 72.41 110.308 -176.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.488 ' HE2' ' HA ' ' A' ' 34' ' ' GLU . 51.8 mtmt -62.73 -41.82 99.37 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 123.168 0.587 . . . . 74.31 110.649 176.212 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 73.2 mtm -80.06 1.87 26.08 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 115.037 -0.983 . . . . 65.14 111.651 -175.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 99.47 -23.45 36.16 Favored Glycine 0 C--N 1.353 1.496 0 CA-C-O 119.801 -0.444 . . . . 73.41 113.448 169.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt -82.03 76.6 8.91 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.141 0.577 . . . . 73.23 110.277 -176.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.417 ' HB2' ' HA ' ' A' ' 78' ' ' ILE . . . -83.57 -4.53 58.64 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 115.582 -0.735 . . . . 73.11 112.569 -173.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.2 mtm180 -73.08 -45.25 58.34 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-N 118.184 0.447 . . . . 74.34 109.91 165.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -66.21 -38.36 87.76 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 114.956 -1.02 . . . . 64.41 109.773 175.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.46 -50.05 74.3 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 122.662 0.385 . . . . 72.23 110.35 171.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.13 -46.06 83.0 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 124.442 1.089 . . . . 75.43 112.695 -177.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -70.94 -32.79 69.78 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 122.516 0.326 . . . . 75.34 111.817 -176.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.426 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 24.5 m-85 -70.27 -36.85 74.69 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 122.229 0.212 . . . . 75.23 110.786 175.564 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.586 ' HB2' ' HG ' ' A' ' 71' ' ' LEU . 22.4 m-85 -67.66 -31.91 72.22 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 123.651 0.594 . . . . 72.35 110.765 175.003 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -74.93 -51.98 12.38 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 123.71 0.631 . . . . 74.32 111.233 -177.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 62.8 mtp180 -64.12 -33.0 74.78 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 123.863 0.727 . . . . 63.53 110.364 -178.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.05 -46.78 73.34 Favored 'General case' 0 C--N 1.349 0.569 0 CA-C-N 115.93 -0.577 . . . . 75.3 109.783 172.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.39 -29.83 70.17 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.859 0.864 . . . . 74.03 112.163 -179.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.418 ' O ' ' HD3' ' A' ' 57' ' ' LYS . 88.4 mt -60.1 -54.5 33.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 N-CA-C 109.105 -0.702 . . . . 74.14 109.105 172.567 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 59.9 t -62.33 -34.77 65.98 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.872 0 C-N-CA 123.845 0.858 . . . . 70.15 111.041 -177.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -68.36 -49.85 57.32 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 116.148 -0.478 . . . . 75.42 110.595 178.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -62.81 -46.81 86.25 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.479 0.712 . . . . 74.44 111.936 -176.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.418 ' HD3' ' O ' ' A' ' 53' ' ' ILE . 5.4 mptp? -56.15 -42.43 76.97 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.056 0.943 . . . . 61.53 111.637 177.215 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.412 ' HG3' ' HA3' ' A' ' 21' ' ' GLY . 29.4 mm-40 -86.73 -8.61 57.24 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 115.808 -0.633 . . . . 75.43 112.065 178.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 61.0 61.85 1.54 Allowed 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.968 1.307 . . . . 71.44 112.118 -179.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -113.94 86.98 2.52 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 125.245 1.418 . . . . 73.54 107.769 174.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.4 m -68.27 -23.59 64.78 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.616 0.767 . . . . 74.41 111.221 -176.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -57.26 -57.47 12.46 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.947 1.299 . . . . 74.45 110.221 174.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -72.78 -38.87 56.39 Favored Glycine 0 C--N 1.343 0.966 0 CA-C-N 114.974 -1.012 . . . . 75.41 112.804 177.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 61.6 tp -62.37 -44.37 96.63 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.668 0.787 . . . . 74.5 111.421 -175.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 64.5 ttt180 -64.99 -45.31 86.11 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.462 0.705 . . . . 74.12 110.192 179.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 36.6 ttp-105 -69.13 -33.72 73.9 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 114.663 -1.153 . . . . 75.5 111.212 -175.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.461 ' O ' ' HB2' ' A' ' 71' ' ' LEU . . . -75.85 -41.24 52.94 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.82 0.848 . . . . 71.01 110.556 176.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.36 -42.47 98.89 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 124.098 0.959 . . . . 71.22 111.404 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.439 ' O ' ' HG2' ' A' ' 73' ' ' GLU . 22.5 tptm -66.69 -52.09 48.6 Favored 'General case' 0 C--N 1.345 0.397 0 CA-C-N 114.658 -1.155 . . . . 73.51 109.865 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 78.2 p -63.45 -30.05 71.23 Favored 'General case' 0 C--N 1.349 0.546 0 O-C-N 123.916 0.76 . . . . 72.34 111.484 -178.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.586 ' HG ' ' HB2' ' A' ' 48' ' ' PHE . 0.7 OUTLIER -63.75 -51.81 63.22 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.082 0.953 . . . . 73.32 109.031 177.735 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.7 tmmm? -69.1 -33.54 73.68 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 123.992 0.917 . . . . 74.03 111.363 -177.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' A' ' 69' ' ' LYS . 26.4 mm-40 -69.88 -33.13 71.82 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 110.083 -0.34 . . . . 60.41 110.083 173.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.512 ' O ' HG13 ' A' ' 78' ' ' ILE . . . -69.34 -32.09 70.95 Favored 'General case' 0 C--O 1.214 -0.785 0 CA-C-O 118.841 -0.6 . . . . 71.43 110.918 177.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.444 HG12 ' O ' ' A' ' 71' ' ' LEU . 36.5 mm -60.64 -49.93 82.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 C-N-CA 123.249 0.62 . . . . 74.43 111.558 -177.255 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 17.0 p -68.1 -27.79 66.78 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 123.892 0.745 . . . . 64.41 111.207 175.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -82.2 -8.56 59.65 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.796 0.839 . . . . 74.24 112.504 179.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.512 HG13 ' O ' ' A' ' 74' ' ' ALA . 78.3 mt -66.46 127.76 93.5 Favored Pre-proline 0 CA--C 1.554 1.126 0 N-CA-C 109.432 -0.581 . . . . 72.2 109.432 176.28 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -78.82 169.4 19.59 Favored 'Trans proline' 0 C--N 1.368 1.599 0 C-N-CA 122.433 2.089 . . . . 73.2 112.486 178.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 63.53 12.27 6.3 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 124.673 1.189 . . . . 73.41 113.273 169.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 63.68 35.23 11.61 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 124.452 1.101 . . . . 74.14 111.311 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -87.08 168.24 13.46 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-N 115.414 -0.812 . . . . 73.22 109.282 172.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 58.97 18.78 41.89 Favored Glycine 0 C--N 1.348 1.21 0 N-CA-C 115.309 0.884 . . . . 53.52 115.309 171.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 24.4 mmt180 -83.93 -40.43 18.54 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 122.001 0.905 . . . . 73.14 109.211 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -102.36 -15.83 16.42 Favored 'General case' 0 CA--C 1.554 1.123 0 CA-C-N 113.936 -1.483 . . . . 72.55 109.645 -178.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -105.53 -77.02 0.59 Allowed 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.124 0.969 . . . . 74.15 111.33 -175.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.23 -26.0 65.48 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.85 0.86 . . . . 73.44 112.352 -170.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -61.31 -34.2 74.83 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.86 0.864 . . . . 75.35 111.938 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -65.38 -30.59 71.43 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 115.63 -0.714 . . . . 74.2 110.896 178.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 40.5 mtm -72.65 -40.82 66.06 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 115.496 -0.774 . . . . 75.34 110.174 177.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.485 ' HB2' HD22 ' A' ' 71' ' ' LEU . . . -61.48 -42.6 99.03 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.15 0.58 . . . . 74.52 110.53 174.55 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.433 ' O ' ' HG2' ' A' ' 96' ' ' GLU . 56.6 tptt -59.76 -47.35 86.04 Favored 'General case' 0 C--O 1.223 -0.335 0 O-C-N 124.882 1.364 . . . . 75.24 109.359 178.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 15.7 mmtm -59.83 -44.4 94.07 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 124.451 1.095 . . . . 73.43 111.509 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.29 -39.65 92.83 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.185 0.594 . . . . 74.13 111.713 -177.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -75.39 -28.54 59.5 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.564 0.746 . . . . 73.41 110.772 178.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.433 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 15.8 mm-40 -66.09 -40.51 90.86 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 122.95 0.5 . . . . 72.43 109.78 172.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 47.7 m0 -66.44 -35.58 80.65 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.585 0.754 . . . . 75.4 111.038 177.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.412 ' O ' ' HG2' ' A' ' 102' ' ' GLN . 51.4 tp -59.57 -50.31 74.38 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 123.882 0.739 . . . . 73.44 110.211 175.489 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -65.51 -30.79 71.6 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.274 0.63 . . . . 72.2 110.949 178.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.45 -33.49 75.25 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.698 0.799 . . . . 75.54 111.249 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -77.98 -34.81 50.76 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 122.926 0.49 . . . . 74.42 111.105 175.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.412 ' HG2' ' O ' ' A' ' 98' ' ' LEU . 15.0 mm-40 -73.39 102.27 3.7 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 109.046 -0.724 . . . . 72.22 109.046 178.29 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -66.12 148.66 51.49 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 123.674 0.79 . . . . 75.1 112.099 -174.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 52.0 t-20 . . . . . 0 C--O 1.256 1.44 0 C-N-CA 124.94 1.296 . . . . 75.45 107.517 176.797 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.649 0.261 . . . . 63.15 111.351 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -137.17 21.24 2.99 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.278 0.631 . . . . 63.53 110.853 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -73.41 -35.57 65.85 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.39 0.676 . . . . 74.55 109.612 -177.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -68.01 -44.66 76.03 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.377 1.071 . . . . 70.41 110.053 172.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.516 HG22 HG23 ' A' ' 31' ' ' ILE . 49.6 mm -59.32 -33.73 51.94 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.88 0 C-N-CA 124.226 1.01 . . . . 73.22 111.356 -177.659 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.84 -32.69 60.88 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.461 1.104 . . . . 74.24 113.248 -177.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -73.0 -45.93 55.05 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.297 0.639 . . . . 72.52 110.748 178.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -72.82 -20.5 61.13 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 115.322 -0.854 . . . . 74.55 112.479 -174.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -63.17 -32.84 74.33 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.188 0.595 . . . . 75.23 111.794 174.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -68.63 -28.15 66.65 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.427 0.691 . . . . 70.44 111.29 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.61 -34.22 75.28 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 122.73 0.412 . . . . 73.02 110.475 176.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.61 ' HD1' ' HB3' ' A' ' 27' ' ' ALA . 4.4 t80 -85.62 168.64 14.25 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 115.701 -0.681 . . . . 72.42 109.846 176.341 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 89.5 mttt 69.45 82.23 0.17 Allowed 'General case' 0 C--N 1.356 0.865 0 C-N-CA 125.094 1.358 . . . . 65.43 110.048 176.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt 56.93 85.91 0.08 Allowed 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.982 1.313 . . . . 71.31 110.586 -176.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.555 ' HB1' ' HB3' ' A' ' 23' ' ' LEU . . . -62.58 -36.62 83.29 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 122.657 0.383 . . . . 72.12 111.576 -177.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -130.91 -79.02 0.53 Allowed 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.607 0.763 . . . . 75.14 109.266 176.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -148.81 152.69 36.96 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.396 0.678 . . . . 71.41 109.982 174.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.2 mp 69.08 141.4 0.04 OUTLIER 'General case' 0 CA--C 1.56 1.343 0 C-N-CA 125.148 1.379 . . . . 65.34 111.384 -173.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -71.5 89.47 0.95 Allowed 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 108.448 -0.945 . . . . 71.24 108.448 171.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -122.39 113.07 18.87 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 108.305 -0.998 . . . . 71.42 108.305 179.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.79 -21.45 63.16 Favored Glycine 0 C--N 1.347 1.149 0 O-C-N 123.488 0.492 . . . . 43.03 114.163 -176.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -67.2 -26.44 66.61 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.445 0.698 . . . . 72.03 111.599 174.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.555 ' HB3' ' HB1' ' A' ' 15' ' ' ALA . 79.5 mt -76.53 -16.52 59.61 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 123.332 0.653 . . . . 73.42 111.383 174.24 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 35.3 mtm -132.2 -153.92 0.58 Allowed 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.04 0.936 . . . . 75.22 109.663 -171.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.64 -62.74 3.97 Favored Glycine 0 C--N 1.348 1.208 0 N-CA-C 111.427 -0.669 . . . . 72.22 111.427 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 37.5 ttt-85 -64.53 -22.66 67.03 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 123.328 0.651 . . . . 74.43 110.654 176.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.61 ' HB3' ' HD1' ' A' ' 12' ' ' TYR . . . -64.21 -47.09 81.08 Favored 'General case' 0 C--N 1.347 0.462 0 C-N-CA 122.875 0.47 . . . . 65.3 111.179 174.394 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.509 ' HG ' ' CD1' ' A' ' 12' ' ' TYR . 26.4 mt -67.03 -38.66 86.3 Favored 'General case' 0 C--N 1.365 1.274 0 CA-C-O 120.847 0.356 . . . . 75.32 110.536 176.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -56.74 -42.8 79.93 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 124.218 1.007 . . . . 75.13 111.055 174.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -71.63 -38.49 70.77 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.034 0.934 . . . . 71.24 110.453 -175.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.516 HG23 HG22 ' A' ' 5' ' ' ILE . 91.5 mt -61.14 -41.96 91.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 123.681 0.792 . . . . 70.11 109.57 172.646 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -60.29 -36.56 91.19 Favored Glycine 0 C--N 1.352 1.435 0 CA-C-N 115.289 -0.869 . . . . 74.45 112.751 177.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.1 mt -68.35 -43.8 76.65 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.264 0.625 . . . . 72.31 110.3 176.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -63.08 -33.41 75.39 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.325 0.65 . . . . 65.15 111.073 178.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.529 ' HA ' ' HE3' ' A' ' 38' ' ' MET . 64.3 mttm -72.78 -46.16 54.75 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.441 0.696 . . . . 74.43 110.638 175.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -59.69 -33.68 71.9 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.56 0.744 . . . . 75.32 110.323 178.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -63.46 -38.45 91.2 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.031 1.332 . . . . 72.23 111.038 176.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.529 ' HE3' ' HA ' ' A' ' 35' ' ' LYS . 51.1 mtm -83.62 6.85 19.27 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.646 0.778 . . . . 73.5 111.393 178.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.57 2.02 90.06 Favored Glycine 0 C--N 1.356 1.642 0 CA-C-O 120.174 -0.236 . . . . 61.32 113.063 -178.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp -82.73 78.92 9.27 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.376 0.67 . . . . 75.33 109.893 178.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.67 -33.18 53.42 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.686 0.794 . . . . 74.15 111.065 179.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 47.6 tpt85 -66.13 -45.83 79.66 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.77 0.828 . . . . 72.54 110.431 -179.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.465 ' HB3' ' HD3' ' A' ' 35' ' ' LYS . 47.9 mt-10 -69.77 -39.85 76.41 Favored 'General case' 0 C--N 1.353 0.757 0 O-C-N 123.66 0.6 . . . . 74.41 110.64 175.716 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.76 -43.3 72.61 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 123.755 0.659 . . . . 75.13 111.283 -179.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.24 -39.07 85.42 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 124.116 0.885 . . . . 74.43 112.752 -178.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.43 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 14.5 mm-40 -58.19 -51.27 70.45 Favored 'General case' 0 N--CA 1.477 0.875 0 O-C-N 123.825 0.703 . . . . 73.55 110.329 177.515 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -72.89 -30.88 64.28 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.347 1.059 . . . . 74.54 112.192 -174.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -68.82 -32.01 71.41 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 122.854 0.461 . . . . 72.43 111.01 174.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.438 ' CG ' ' HB3' ' A' ' 90' ' ' MET . 27.4 t80 -72.48 -47.91 44.96 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 123.454 0.471 . . . . 73.21 110.842 178.132 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.43 ' HG3' ' O ' ' A' ' 46' ' ' GLU . 85.8 mtt180 -61.03 -38.56 86.56 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 124.097 0.873 . . . . 75.31 109.765 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.33 -47.34 84.65 Favored 'General case' 0 C--N 1.348 0.539 0 CA-C-N 115.131 -0.941 . . . . 60.34 110.517 173.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.72 -36.06 79.86 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.52 0.728 . . . . 75.43 112.11 -178.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 95.7 mt -59.17 -48.86 85.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 123.978 0.911 . . . . 73.01 110.089 174.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.507 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 85.9 t -60.35 -53.11 53.3 Favored 'Isoleucine or valine' 0 C--N 1.351 0.661 0 O-C-N 124.145 0.903 . . . . 54.11 110.225 -179.371 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -60.74 -31.02 70.35 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.235 0.614 . . . . 73.3 112.415 -179.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 30.2 t80 -70.77 -49.98 40.86 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.307 0.643 . . . . 64.23 111.304 177.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -74.43 -21.36 59.65 Favored 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 112.625 0.602 . . . . 72.52 112.625 -177.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.507 ' HG2' ' O ' ' A' ' 54' ' ' VAL . 5.6 mm-40 -85.4 -12.64 51.56 Favored 'General case' 0 N--CA 1.485 1.293 0 N-CA-C 109.731 -0.47 . . . . 73.33 109.731 169.094 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 74.3 m-70 62.85 29.78 16.61 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.46 1.504 . . . . 75.35 112.39 -179.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -80.38 87.61 5.62 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 107.991 -1.114 . . . . 74.12 107.991 169.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 33.4 m -61.62 -31.12 71.19 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 124.47 1.108 . . . . 71.35 112.373 -174.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -64.27 -52.88 56.46 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.239 1.015 . . . . 71.44 111.106 178.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -69.24 -30.55 71.65 Favored Glycine 0 C--N 1.345 1.062 0 CA-C-N 115.535 -0.757 . . . . 54.13 112.882 178.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 59.9 tp -66.37 -40.74 89.93 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.1 0.56 . . . . 70.32 109.948 176.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -61.59 -45.85 92.38 Favored 'General case' 0 N--CA 1.477 0.906 0 O-C-N 123.83 0.706 . . . . 74.21 110.012 175.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 61.2 ttm-85 -67.88 -40.91 83.49 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 124.745 1.278 . . . . 75.22 111.548 -174.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.434 ' O ' ' HB2' ' A' ' 71' ' ' LEU . . . -75.12 -34.42 61.69 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.57 0.748 . . . . 73.22 110.854 179.463 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.51 -40.32 89.13 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.241 0.616 . . . . 71.35 111.141 174.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.538 ' O ' ' HG2' ' A' ' 73' ' ' GLU . 22.4 tptm -68.24 -50.92 50.72 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-N 114.627 -1.17 . . . . 74.11 109.72 -179.618 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 50.6 m -64.69 -29.49 70.49 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 122.697 0.399 . . . . 70.31 111.066 -178.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.616 HD12 ' HA ' ' A' ' 91' ' ' ALA . 0.6 OUTLIER -61.12 -53.41 57.38 Favored 'General case' 0 C--N 1.354 0.801 0 C-N-CA 123.314 0.646 . . . . 71.02 109.345 176.601 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.64 -29.56 65.96 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 122.748 0.419 . . . . 73.5 111.929 -178.076 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.538 ' HG2' ' O ' ' A' ' 69' ' ' LYS . 10.2 mm-40 -66.04 -34.84 79.0 Favored 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 109.625 -0.509 . . . . 74.04 109.625 172.643 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.542 ' O ' HG13 ' A' ' 78' ' ' ILE . . . -70.73 -36.24 73.09 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.228 0.611 . . . . 73.24 110.948 176.419 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.48 HG12 ' O ' ' A' ' 71' ' ' LEU . 44.1 mm -64.55 -44.71 96.84 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 C-N-CA 123.293 0.637 . . . . 74.24 111.43 -177.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 30.8 p -68.16 -13.27 62.1 Favored 'General case' 0 CA--C 1.551 0.982 0 CA-C-N 115.668 -0.696 . . . . 73.44 111.289 176.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -97.09 -17.57 19.88 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 123.995 0.918 . . . . 75.33 111.484 173.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.664 HG21 ' HA3' ' A' ' 83' ' ' GLY . 43.5 mt -78.11 132.97 65.59 Favored Pre-proline 0 N--CA 1.485 1.287 0 N-CA-C 108.777 -0.823 . . . . 74.11 108.777 173.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -59.32 158.63 25.88 Favored 'Trans proline' 0 C--N 1.377 2.061 0 C-N-CA 122.749 2.299 . . . . 73.53 112.293 168.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.444 ' HG2' ' HE ' ' A' ' 84' ' ' ARG . 42.2 mt-10 -79.72 176.16 9.97 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 122.994 0.518 . . . . 72.3 111.531 177.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 70.83 -3.35 2.0 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 124.978 1.311 . . . . 73.41 112.583 -174.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -170.5 139.84 1.69 Allowed 'General case' 0 C--N 1.357 0.926 0 C-N-CA 124.125 0.97 . . . . 73.3 108.603 177.42 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.664 ' HA3' HG21 ' A' ' 78' ' ' ILE . . . 71.78 -61.91 1.25 Allowed Glycine 0 CA--C 1.534 1.227 0 N-CA-C 114.808 0.683 . . . . 52.1 114.808 -177.087 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.444 ' HE ' ' HG2' ' A' ' 80' ' ' GLU . 0.4 OUTLIER -60.1 -27.18 66.81 Favored 'General case' 0 CA--C 1.559 1.302 0 C-N-CA 123.839 0.856 . . . . 73.14 110.157 176.266 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -88.33 -33.46 17.98 Favored 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 123.431 0.692 . . . . 74.14 111.278 173.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -104.05 -65.81 1.0 Allowed 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.937 0.895 . . . . 72.15 111.343 -163.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.96 -24.25 65.94 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.649 1.18 . . . . 75.41 112.492 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -58.64 -32.99 69.56 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 123.498 0.719 . . . . 72.35 112.345 177.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -60.78 -32.34 71.67 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.489 0.716 . . . . 71.32 110.681 177.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.438 ' HB3' ' CG ' ' A' ' 49' ' ' PHE . 31.0 mtm -74.14 -38.02 63.88 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 114.917 -1.038 . . . . 75.34 111.113 178.315 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.616 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -58.15 -43.0 87.14 Favored 'General case' 0 C--N 1.352 0.687 0 O-C-N 123.767 0.667 . . . . 64.23 109.711 173.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.445 ' O ' ' HG2' ' A' ' 96' ' ' GLU . 52.6 mtpt -62.05 -42.29 99.03 Favored 'General case' 0 C--N 1.351 0.635 0 O-C-N 124.481 1.113 . . . . 71.51 111.521 178.095 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 25.7 mmtp -56.38 -50.75 70.67 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.521 0.728 . . . . 74.12 110.699 177.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.7 -33.1 72.35 Favored 'General case' 0 CA--C 1.552 1.048 0 CA-C-N 115.027 -0.988 . . . . 64.52 111.858 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.478 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 45.8 mt-10 -68.24 -45.84 72.11 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.269 1.027 . . . . 75.44 110.71 174.525 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 19.4 mm-40 -61.09 -38.88 87.83 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.676 0.79 . . . . 75.13 110.774 -178.404 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 49.3 m0 -66.24 -41.71 89.64 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 114.982 -1.008 . . . . 73.2 110.234 177.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 51.2 tp -64.85 -37.39 87.45 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 123.657 0.598 . . . . 65.32 110.608 178.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.478 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 81.7 mm-40 -71.56 -25.68 62.31 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.199 0.599 . . . . 63.45 111.149 178.313 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -77.71 -41.65 37.15 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.512 0.725 . . . . 74.53 110.986 176.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -69.59 -43.63 72.44 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.352 0.661 . . . . 71.33 110.798 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -72.88 105.92 4.6 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 108.395 -0.965 . . . . 75.42 108.395 170.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -59.71 134.07 56.68 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.076 0.55 . . . . 62.32 109.713 177.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 6.9 t30 . . . . . 0 CA--C 1.554 1.122 0 C-N-CA 122.853 0.461 . . . . 60.32 109.844 175.209 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.93 0 CA-C-O 120.729 0.3 . . . . 72.21 111.523 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.792 ' HA ' HD11 ' A' ' 5' ' ' ILE . 55.4 m-20 -124.59 33.02 5.33 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 112.367 0.506 . . . . 62.0 112.367 -165.06 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.2 mp0 -71.78 -53.17 14.24 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 108.888 -0.782 . . . . 74.22 108.888 178.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.443 ' O ' ' HB3' ' A' ' 7' ' ' LYS . 27.5 t-20 -65.11 -28.85 69.73 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-N 115.006 -0.997 . . . . 63.42 110.939 179.203 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.792 HD11 ' HA ' ' A' ' 2' ' ' ASP . 2.0 mp -62.41 -45.29 99.13 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.788 0 C-N-CA 123.302 0.641 . . . . 75.4 109.663 176.413 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.07 -30.49 68.1 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.966 0.906 . . . . 71.15 112.403 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.443 ' HB3' ' O ' ' A' ' 4' ' ' ASN . 53.9 tttp -58.88 -51.37 70.33 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.981 0.912 . . . . 70.42 110.675 175.52 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -79.34 -23.1 43.66 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 115.785 -0.643 . . . . 72.31 112.468 -175.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -70.55 -36.75 73.82 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 109.836 -0.431 . . . . 72.34 109.836 172.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.2 tmtt? -68.41 -42.68 78.64 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 108.399 -0.963 . . . . 72.53 108.399 175.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.36 -29.5 69.69 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 123.896 0.878 . . . . 74.45 111.514 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.513 ' CE2' ' HG ' ' A' ' 28' ' ' LEU . 2.0 t80 -80.3 98.73 7.54 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 109.265 -0.642 . . . . 75.22 109.265 -179.33 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.504 ' HB2' HE22 ' A' ' 20' ' ' GLN . 96.9 mttt -85.26 23.2 1.33 Allowed 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.977 0.911 . . . . 74.15 112.152 -178.306 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.0 tptm 60.29 93.02 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.235 1.414 . . . . 72.34 110.926 -177.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.565 ' HB1' ' HA2' ' A' ' 21' ' ' GLY . . . -61.97 -24.45 67.02 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.578 1.151 . . . . 53.12 112.794 -176.057 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -81.26 -25.36 36.65 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 123.583 0.753 . . . . 75.32 111.131 -174.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -103.86 -58.9 1.81 Allowed 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 122.972 0.509 . . . . 75.3 110.399 -175.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.512 ' HB3' HE21 ' A' ' 20' ' ' GLN . 1.6 tt -79.73 118.71 21.78 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 107.726 -1.213 . . . . 72.21 107.726 176.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -62.48 89.82 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.255 1.022 . . . . 75.54 111.173 -175.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.512 HE21 ' HB3' ' A' ' 18' ' ' LEU . 45.3 mt-30 -142.13 -69.38 0.36 Allowed 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.488 1.115 . . . . 74.21 109.162 179.162 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.565 ' HA2' ' HB1' ' A' ' 15' ' ' ALA . . . 74.59 -74.65 1.29 Allowed Glycine 0 C--N 1.359 1.822 0 CA-C-N 115.747 -0.661 . . . . 53.22 113.306 -178.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -52.23 -33.94 43.64 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 126.138 1.775 . . . . 70.42 113.135 -177.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 40.7 mt -79.94 0.59 30.78 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.622 0.769 . . . . 73.24 111.969 -174.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.481 ' HG2' ' HA ' ' A' ' 12' ' ' TYR . 23.6 mtm -138.88 -171.35 3.07 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.293 1.037 . . . . 74.02 110.48 -179.415 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.65 -55.82 4.43 Favored Glycine 0 C--N 1.347 1.162 0 N-CA-C 109.805 -1.318 . . . . 71.43 109.805 -170.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -58.1 -35.32 71.26 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.463 1.105 . . . . 75.03 111.114 175.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.83 -46.06 81.94 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 123.158 0.583 . . . . 72.35 111.163 174.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.513 ' HG ' ' CE2' ' A' ' 12' ' ' TYR . 28.2 mt -66.11 -35.41 80.44 Favored 'General case' 0 N--CA 1.484 1.227 0 O-C-N 123.133 0.27 . . . . 73.44 111.237 176.607 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -58.64 -44.5 90.1 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.251 0.621 . . . . 74.22 110.946 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 66.5 m-80 -68.24 -34.8 76.88 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 122.781 0.433 . . . . 75.32 111.468 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.482 HD12 HD22 ' A' ' 28' ' ' LEU . 85.4 mt -62.32 -40.71 88.87 Favored 'Isoleucine or valine' 0 C--N 1.352 0.695 0 N-CA-C 109.532 -0.544 . . . . 72.01 109.532 174.024 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.8 -37.51 94.79 Favored Glycine 0 C--N 1.344 1.016 0 CA-C-N 115.214 -0.903 . . . . 55.13 112.331 176.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.5 mt -63.37 -40.7 97.98 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.393 0.677 . . . . 72.44 110.411 178.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -67.79 -44.25 77.8 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 123.98 0.8 . . . . 73.21 111.403 179.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.595 ' HE2' HG12 ' A' ' 5' ' ' ILE . 6.0 mptp? -59.35 -48.94 79.73 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.484 0.714 . . . . 72.05 109.767 175.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -60.79 -36.02 77.93 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.051 0.94 . . . . 64.01 110.656 -178.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.2 tptt -67.5 -39.38 85.16 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.842 0.857 . . . . 73.43 110.851 178.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 53.5 mtm -77.54 -7.69 56.67 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.011 0.525 . . . . 74.02 111.495 178.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 92.47 1.32 68.92 Favored Glycine 0 C--N 1.346 1.087 0 N-CA-C 112.082 -0.407 . . . . 73.53 112.082 -178.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -79.04 68.28 4.95 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 108.878 -0.786 . . . . 74.43 108.878 173.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.424 ' HB2' ' O ' ' A' ' 74' ' ' ALA . . . -78.26 -25.86 46.98 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.039 0.936 . . . . 61.21 111.604 -173.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -65.93 -49.39 68.14 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.403 1.081 . . . . 74.14 109.36 172.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -64.39 -41.3 96.73 Favored 'General case' 0 N--CA 1.478 0.933 0 O-C-N 123.839 0.712 . . . . 75.13 110.915 175.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.52 -46.02 87.64 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.944 0.898 . . . . 75.41 110.843 -178.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.62 -33.71 66.54 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 124.649 1.218 . . . . 65.32 111.889 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.424 ' HB3' ' NH1' ' A' ' 50' ' ' ARG . 42.3 mt-10 -65.78 -51.74 56.57 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.519 0.728 . . . . 64.12 110.676 177.266 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.478 ' HD1' HD23 ' A' ' 28' ' ' LEU . 79.5 m-85 -68.86 -33.41 73.75 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 115.613 -0.721 . . . . 71.22 111.921 -175.332 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.401 ' HB2' ' HG ' ' A' ' 71' ' ' LEU . 19.8 m-85 -68.02 -35.35 78.13 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 123.736 0.647 . . . . 73.44 110.434 176.234 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -70.82 -50.77 31.97 Favored 'General case' 0 C--N 1.347 0.468 0 CA-C-N 115.91 -0.586 . . . . 74.23 111.206 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.424 ' NH1' ' HB3' ' A' ' 46' ' ' GLU . 67.9 mtt180 -68.7 -29.84 68.36 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.501 -0.772 . . . . 72.43 110.589 -176.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.24 -51.23 67.05 Favored 'General case' 0 C--N 1.348 0.512 0 O-C-N 124.075 0.859 . . . . 73.21 109.427 168.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.6 -31.31 69.36 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.1 0.96 . . . . 73.53 112.011 -177.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.512 ' O ' ' HD3' ' A' ' 57' ' ' LYS . 93.6 mt -60.71 -53.75 44.65 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 C-N-CA 123.677 0.791 . . . . 73.43 109.64 174.455 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 46.4 t -63.56 -39.93 87.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 123.05 0.54 . . . . 72.11 110.749 -176.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -61.7 -43.34 99.04 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.202 0.601 . . . . 74.23 110.988 176.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -63.78 -45.97 87.31 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.871 0.869 . . . . 74.43 111.218 -179.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.512 ' HD3' ' O ' ' A' ' 53' ' ' ILE . 5.5 mptp? -55.51 -43.09 75.37 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.833 0.853 . . . . 71.5 111.671 173.253 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -80.86 -11.46 59.58 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 122.962 0.505 . . . . 74.45 111.709 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 64.54 28.46 13.36 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.139 1.376 . . . . 75.15 111.82 -177.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -80.98 83.73 6.62 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 108.198 -1.038 . . . . 72.22 108.198 173.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 10.8 p -56.21 -33.07 64.99 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.186 0.994 . . . . 74.02 113.293 174.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.428 ' O ' ' HG3' ' A' ' 66' ' ' ARG . 27.1 t70 -66.96 -50.78 61.24 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.116 0.566 . . . . 74.44 110.566 -177.318 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -67.37 -41.17 91.41 Favored Glycine 0 C--N 1.349 1.261 0 O-C-N 123.639 0.587 . . . . 72.31 112.22 176.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 44.1 tp -58.11 -37.26 74.22 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.586 1.154 . . . . 73.44 110.723 176.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.43 ' HD2' HE22 ' A' ' 102' ' ' GLN . 78.3 ttt180 -64.88 -50.78 65.21 Favored 'General case' 0 C--N 1.347 0.471 0 C-N-CA 124.274 1.03 . . . . 75.43 109.807 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.428 ' HG3' ' O ' ' A' ' 62' ' ' ASP . 81.6 mtt-85 -57.51 -45.97 84.35 Favored 'General case' 0 N--CA 1.475 0.775 0 O-C-N 124.335 1.022 . . . . 74.42 110.575 178.475 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.459 ' O ' ' HB2' ' A' ' 71' ' ' LEU . . . -67.67 -38.6 83.98 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.025 0.93 . . . . 70.14 111.522 -177.108 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.91 -43.2 68.78 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.582 0.753 . . . . 73.45 111.371 -178.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.547 ' HA ' ' HE2' ' A' ' 69' ' ' LYS . 10.7 mmpt? -65.51 -51.49 59.63 Favored 'General case' 0 C--N 1.347 0.461 0 CA-C-N 115.735 -0.666 . . . . 64.54 110.399 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 27.0 m -64.41 -29.81 70.86 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.953 0.901 . . . . 72.45 111.604 -178.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.516 HD12 ' HA ' ' A' ' 91' ' ' ALA . 1.0 OUTLIER -60.11 -48.41 81.85 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.413 0.685 . . . . 73.41 109.371 176.629 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -70.39 -34.18 72.27 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-N 115.422 -0.808 . . . . 73.52 111.614 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -70.21 -21.09 63.05 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.463 0.705 . . . . 73.04 110.458 176.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.424 ' O ' ' HB2' ' A' ' 41' ' ' ALA . . . -80.92 -35.51 32.28 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.299 0.639 . . . . 74.24 110.455 171.316 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.696 HG23 ' HD3' ' A' ' 88' ' ' LYS . 40.4 mm -60.71 -45.82 96.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 CA-C-O 120.941 0.401 . . . . 74.32 111.247 -178.486 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 14.8 t -66.71 -15.55 63.6 Favored 'General case' 0 CA--C 1.555 1.139 0 CA-C-N 115.553 -0.748 . . . . 65.41 111.566 -179.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -106.48 -3.37 20.99 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 123.938 0.895 . . . . 71.2 112.7 -178.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 86.1 mt -64.98 127.37 92.72 Favored Pre-proline 0 N--CA 1.49 1.558 0 CA-C-O 118.971 -0.538 . . . . 73.44 109.55 176.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_exo -55.0 126.04 21.23 Favored 'Trans proline' 0 C--N 1.37 1.673 0 C-N-CA 123.287 2.658 . . . . 73.41 112.607 165.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -67.08 85.58 0.14 Allowed 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 124.76 1.224 . . . . 73.44 111.05 -177.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 177.69 -50.48 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.957 1.303 . . . . 73.43 109.395 179.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -59.84 -61.85 2.31 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 124.11 0.881 . . . . 70.44 112.464 -172.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 174.69 85.84 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 121.462 -0.399 . . . . 63.13 112.247 -178.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 27.0 mmt85 -66.86 -69.33 0.31 Allowed 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.199 0.6 . . . . 75.14 109.456 173.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.494 ' HA ' ' HB3' ' A' ' 88' ' ' LYS . 49.4 mtmt -62.38 -36.18 81.49 Favored 'General case' 0 N--CA 1.48 1.039 0 O-C-N 124.096 0.872 . . . . 74.43 111.605 -179.093 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -45.54 -60.44 2.18 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 124.821 1.248 . . . . 64.23 111.547 174.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.551 ' HA ' ' HE2' ' A' ' 90' ' ' MET . . . -76.94 -26.13 53.68 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 115.814 -0.63 . . . . 73.02 111.802 179.518 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.696 ' HD3' HG23 ' A' ' 75' ' ' ILE . 28.6 tptp -65.56 -36.12 82.84 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.294 1.037 . . . . 75.24 111.105 -176.073 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.483 ' HG2' ' O ' ' A' ' 85' ' ' LYS . 11.8 mm-40 -63.86 -37.71 88.4 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 122.877 0.471 . . . . 72.44 110.354 176.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.551 ' HE2' ' HA ' ' A' ' 87' ' ' ALA . 37.4 mtm -68.44 -38.56 81.27 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 115.345 -0.843 . . . . 73.44 110.499 177.038 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.516 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -62.12 -40.35 95.61 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.319 0.648 . . . . 72.25 110.226 176.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.511 ' O ' ' HG2' ' A' ' 96' ' ' GLU . 57.2 tttm -72.2 -33.42 67.62 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 123.921 0.763 . . . . 72.23 110.667 -178.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 59.1 mmtt -59.4 -47.63 84.71 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 122.804 0.442 . . . . 75.12 110.381 174.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.33 -32.96 73.8 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 115.281 -0.872 . . . . 75.02 111.487 177.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 91' ' ' ALA . 45.0 mt-10 -67.75 -42.63 81.51 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.37 0.668 . . . . 75.21 111.145 174.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.511 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 49.3 mm-40 -60.79 -46.77 89.19 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 123.812 0.695 . . . . 71.21 110.061 -178.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 44.4 m0 -63.18 -42.95 99.46 Favored 'General case' 0 C--N 1.345 0.406 0 O-C-N 124.507 1.13 . . . . 71.3 111.092 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 26.5 tp -62.93 -50.1 72.15 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 123.914 0.759 . . . . 74.34 111.167 -176.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -69.82 -32.48 70.93 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.211 0.604 . . . . 75.31 110.893 -178.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.75 -47.05 70.34 Favored 'General case' 0 C--O 1.244 0.815 0 C-N-CA 123.244 0.618 . . . . 71.54 111.419 -178.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -75.78 -57.73 3.7 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 123.315 0.384 . . . . 73.14 111.064 -177.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.43 HE22 ' HD2' ' A' ' 65' ' ' ARG . 13.6 pt20 -105.1 126.94 52.63 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 109.139 -0.689 . . . . 74.15 109.139 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -154.51 177.55 11.06 Favored 'General case' 0 C--O 1.244 0.794 0 C-N-CA 124.103 0.961 . . . . 74.2 109.183 -176.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 . . . . . 0 C--O 1.254 1.297 0 C-N-CA 123.399 0.68 . . . . 72.3 110.65 176.733 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.085 0 CA-C-O 120.605 0.24 . . . . 71.54 110.406 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.696 ' HB2' HD13 ' A' ' 5' ' ' ILE . 5.5 p-10 -155.79 24.08 0.39 Allowed 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.479 0.712 . . . . 73.42 110.507 173.438 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -65.82 -18.69 65.51 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.271 0.628 . . . . 63.43 111.098 177.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -60.46 -49.37 77.85 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.584 0.754 . . . . 74.24 109.644 172.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.739 HG23 HG22 ' A' ' 31' ' ' ILE . 90.3 mt -58.4 -51.41 71.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 124.949 1.299 . . . . 74.14 109.763 174.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.41 -37.54 72.9 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-N 114.239 -1.346 . . . . 73.02 112.029 -178.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.9 tppt? -59.59 -39.52 84.45 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.003 0.921 . . . . 73.34 110.932 -174.18 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -72.69 -31.45 65.05 Favored 'General case' 0 CA--C 1.55 0.956 0 CA-C-N 115.164 -0.925 . . . . 75.14 111.115 179.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -65.98 -46.1 79.24 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 123.864 0.866 . . . . 74.53 111.214 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -68.57 -35.17 77.03 Favored 'General case' 0 N--CA 1.486 1.346 0 CA-C-N 116.085 -0.507 . . . . 75.02 109.88 178.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.6 -20.61 62.74 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.521 0.729 . . . . 72.44 111.573 176.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.524 ' HA ' ' HG2' ' A' ' 24' ' ' MET . 2.4 t80 -82.09 112.35 19.06 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 109.35 -0.611 . . . . 75.4 109.35 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -102.24 21.53 14.82 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 124.386 1.075 . . . . 73.42 111.755 -176.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.646 ' HZ1' ' HB2' ' A' ' 14' ' ' LYS . 7.5 mtmp? 69.71 115.09 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 125.828 1.651 . . . . 75.22 110.858 -174.224 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.453 ' HB3' ' HB2' ' A' ' 24' ' ' MET . . . -103.48 117.33 34.2 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.25 0.62 . . . . 74.4 111.2 -175.39 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -122.12 177.98 5.11 Favored 'General case' 0 C--O 1.24 0.565 0 C-N-CA 123.942 0.897 . . . . 72.11 109.246 171.145 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -77.97 81.06 4.39 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-O 122.238 1.018 . . . . 73.21 108.297 -176.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.445 HD21 ' N ' ' A' ' 19' ' ' ASN . 8.3 tt -164.89 157.85 16.63 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 113.069 -1.878 . . . . 75.5 107.019 -170.739 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.445 ' N ' HD21 ' A' ' 18' ' ' LEU . 42.9 m-80 -70.83 75.99 0.62 Allowed 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.062 0.545 . . . . 71.45 111.906 -174.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -177.18 -18.99 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 125.493 1.517 . . . . 75.14 110.206 175.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.86 -34.75 72.43 Favored Glycine 0 C--N 1.356 1.649 0 O-C-N 123.287 0.367 . . . . 60.14 113.916 -173.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -56.1 -31.98 63.76 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 124.769 1.228 . . . . 72.4 112.765 177.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 60.1 mt -66.76 -23.25 66.06 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.678 0.791 . . . . 73.33 110.946 -178.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.524 ' HG2' ' HA ' ' A' ' 12' ' ' TYR . 27.6 mtm -115.91 -165.19 1.02 Allowed 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.957 1.303 . . . . 74.44 109.406 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.87 -59.98 4.9 Favored Glycine 0 C--N 1.346 1.13 0 N-CA-C 111.152 -0.779 . . . . 70.45 111.152 -174.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 60.2 ttt180 -53.74 -36.83 62.74 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.6 1.16 . . . . 74.21 111.09 170.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.429 ' HB3' ' HD2' ' A' ' 12' ' ' TYR . . . -59.74 -52.7 64.36 Favored 'General case' 0 CA--C 1.548 0.869 0 O-C-N 123.796 0.685 . . . . 72.33 111.17 178.502 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.576 HD21 HD12 ' A' ' 31' ' ' ILE . 24.3 mt -67.01 -32.39 73.58 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 122.457 0.303 . . . . 62.51 111.577 177.028 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -62.46 -43.27 99.23 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.139 0.576 . . . . 75.43 109.87 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.496 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 15.2 m120 -67.13 -35.33 79.5 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 115.521 -0.763 . . . . 73.55 110.903 178.49 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.739 HG22 HG23 ' A' ' 5' ' ' ILE . 94.5 mt -64.14 -39.81 86.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 C-N-CA 123.527 0.731 . . . . 65.42 109.575 175.433 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.42 -39.65 97.97 Favored Glycine 0 C--N 1.348 1.239 0 CA-C-N 115.067 -0.97 . . . . 73.43 112.512 176.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 98.3 mt -63.09 -43.43 98.52 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.498 0.719 . . . . 75.1 110.449 176.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.496 ' HG2' ' O ' ' A' ' 30' ' ' ASN . 9.4 mm-40 -61.13 -42.91 99.4 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.663 0.785 . . . . 73.13 111.044 178.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.468 ' HG2' ' HE2' ' A' ' 47' ' ' TYR . 3.0 mptp? -66.31 -45.18 81.25 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.057 0.943 . . . . 70.01 110.708 178.301 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -61.27 -38.36 86.47 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.695 0.798 . . . . 75.2 110.36 -178.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -62.65 -42.13 99.43 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.494 1.117 . . . . 75.12 109.625 177.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 67.1 mtm -85.06 12.67 7.26 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 123.631 0.772 . . . . 72.11 112.164 -178.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.2 -8.44 60.9 Favored Glycine 0 C--N 1.353 1.503 0 CA-C-O 119.979 -0.345 . . . . 75.32 113.877 176.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 39.1 mttm -77.83 69.0 4.0 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.375 1.07 . . . . 74.41 109.429 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.408 ' HA ' ' HB1' ' A' ' 44' ' ' ALA . . . -82.05 -17.67 45.89 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.497 0.719 . . . . 73.51 112.258 -172.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -64.94 -53.85 39.96 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 108.913 -0.773 . . . . 74.01 108.913 169.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -63.45 -38.86 92.77 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 114.894 -1.048 . . . . 75.32 110.453 177.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.408 ' HB1' ' HA ' ' A' ' 41' ' ' ALA . . . -57.06 -55.54 33.34 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.225 0.61 . . . . 70.11 110.797 -178.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.2 -32.81 71.44 Favored 'General case' 0 C--N 1.35 0.627 0 O-C-N 124.318 1.011 . . . . 75.34 111.401 179.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.417 ' HA ' ' HE3' ' A' ' 90' ' ' MET . 7.5 tm-20 -62.36 -50.02 73.24 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.366 1.066 . . . . 71.31 110.11 179.224 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.468 ' HE2' ' HG2' ' A' ' 35' ' ' LYS . 61.1 m-85 -72.08 -32.95 67.51 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 122.845 0.458 . . . . 73.11 111.685 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -64.41 -31.68 72.99 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 123.769 0.668 . . . . 75.23 110.275 176.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -69.99 -50.56 40.41 Favored 'General case' 0 C--N 1.345 0.376 0 O-C-N 124.162 0.913 . . . . 75.21 110.734 178.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.409 ' HG3' ' O ' ' A' ' 46' ' ' GLU . 77.1 mtp180 -60.15 -40.96 91.66 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.888 0.875 . . . . 74.4 110.148 179.262 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.93 -42.86 94.32 Favored 'General case' 0 C--N 1.345 0.407 0 CA-C-N 114.552 -1.204 . . . . 62.41 110.77 177.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.96 -38.03 89.44 Favored 'General case' 0 N--CA 1.482 1.166 0 O-C-N 123.986 0.804 . . . . 63.4 111.051 -177.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 87.6 mt -57.67 -41.71 79.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 123.982 0.913 . . . . 73.4 110.607 173.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.4 t -71.65 -43.8 70.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 123.204 0.602 . . . . 75.2 111.046 -177.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -65.75 -27.77 68.55 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-O 120.988 0.423 . . . . 74.4 111.075 177.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -74.04 -48.12 32.19 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.568 1.147 . . . . 75.23 111.719 177.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -68.41 -26.45 65.55 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 122.865 0.466 . . . . 71.52 111.686 178.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -85.28 -11.89 53.72 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.36 0.664 . . . . 72.31 111.145 173.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 63.73 21.74 12.8 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.099 1.359 . . . . 73.24 111.831 177.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -81.86 92.63 6.73 Favored 'General case' 0 C--O 1.238 0.476 0 N-CA-C 108.27 -1.011 . . . . 71.22 108.27 178.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 12.4 p -59.56 -36.19 75.71 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.996 0.918 . . . . 74.14 112.764 -175.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -60.65 -49.65 76.67 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 123.596 0.56 . . . . 72.11 110.685 -179.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -72.14 -32.67 62.78 Favored Glycine 0 C--N 1.343 0.932 0 O-C-N 124.303 1.002 . . . . 72.21 112.729 -179.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 63.6 tp -71.36 -37.08 71.66 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.694 0.798 . . . . 71.43 110.507 179.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 28.8 ttm-85 -71.95 -34.96 69.41 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.468 1.107 . . . . 75.3 109.829 176.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 30.0 ttm-85 -71.22 -40.48 71.09 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.161 1.384 . . . . 74.01 110.474 179.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.44 ' O ' ' HB2' ' A' ' 71' ' ' LEU . . . -75.59 -36.56 60.31 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 115.21 -0.905 . . . . 65.44 110.794 178.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.48 -45.43 87.38 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 123.923 0.765 . . . . 74.15 110.117 176.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.562 ' HA ' ' HE3' ' A' ' 72' ' ' LYS . 37.8 ttmt -55.54 -51.7 66.2 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 124.862 1.352 . . . . 74.0 110.872 178.436 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 37.1 m -73.61 -31.66 63.68 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 115.261 -0.881 . . . . 61.2 111.635 -176.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.44 ' HB2' ' O ' ' A' ' 67' ' ' ALA . 1.6 tt -64.53 -54.71 28.04 Favored 'General case' 0 N--CA 1.485 1.284 0 N-CA-C 108.962 -0.755 . . . . 74.31 108.962 -179.546 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.562 ' HE3' ' HA ' ' A' ' 69' ' ' LYS . 21.8 pttp -69.83 -34.41 73.62 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 115.43 -0.804 . . . . 75.32 111.888 -173.337 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -89.61 3.26 53.14 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.412 0.685 . . . . 63.35 111.28 178.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.449 ' O ' HG13 ' A' ' 78' ' ' ILE . . . -78.85 -27.86 44.19 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 109.709 -0.478 . . . . 73.23 109.709 165.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.454 HG23 ' HG2' ' A' ' 88' ' ' LYS . 2.0 mp -62.76 -39.74 85.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 C-N-CA 123.544 0.738 . . . . 73.23 111.004 178.041 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 38.0 p -67.24 -14.66 63.12 Favored 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 122.783 0.433 . . . . 73.0 111.639 177.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -100.16 -13.76 18.81 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 124.197 0.999 . . . . 64.42 111.935 176.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.653 HG22 ' H ' ' A' ' 84' ' ' ARG . 68.8 mt -70.53 138.72 86.24 Favored Pre-proline 0 N--CA 1.492 1.627 0 C-N-CA 123.542 0.737 . . . . 75.42 110.917 -178.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_exo -52.06 155.69 8.46 Favored 'Trans proline' 0 C--N 1.384 2.417 0 C-N-CA 123.633 2.889 . . . . 74.24 113.988 168.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -87.86 9.34 22.31 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 112.744 0.646 . . . . 65.1 112.744 -178.489 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -103.17 -69.86 0.78 Allowed 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.637 0.775 . . . . 65.32 109.868 172.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -90.95 145.93 24.3 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 122.971 0.508 . . . . 73.52 110.237 -171.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 78.29 -106.89 2.38 Favored Glycine 0 C--N 1.351 1.395 0 C-N-CA 123.419 0.533 . . . . 62.41 112.468 174.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.653 ' H ' HG22 ' A' ' 78' ' ' ILE . 25.4 tpp180 57.93 -86.16 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 125.681 1.592 . . . . 71.12 111.216 179.298 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -68.42 -41.55 80.22 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.692 1.197 . . . . 75.22 110.82 -177.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -52.71 -52.04 57.85 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 124.313 1.008 . . . . 73.31 111.028 -177.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.611 ' HA ' ' HE2' ' A' ' 90' ' ' MET . . . -76.71 -25.98 54.19 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.258 -0.883 . . . . 65.21 112.266 179.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.454 ' HG2' HG23 ' A' ' 75' ' ' ILE . 4.8 tmtt? -63.29 -37.37 86.98 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.65 0.78 . . . . 75.23 110.597 -178.293 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -67.76 -32.72 73.51 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 115.015 -0.993 . . . . 74.34 111.275 179.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.611 ' HE2' ' HA ' ' A' ' 87' ' ' ALA . 45.0 mtm -69.62 -35.09 74.94 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.014 0.525 . . . . 74.13 110.559 176.35 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.68 -38.72 82.29 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 115.249 -0.887 . . . . 72.03 111.063 176.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.424 ' O ' ' HG2' ' A' ' 96' ' ' GLU . 90.5 mttt -56.58 -46.39 80.83 Favored 'General case' 0 C--N 1.359 1.014 0 O-C-N 124.186 0.929 . . . . 74.02 110.682 177.088 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 63.1 mmtt -56.37 -51.21 69.16 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 124.395 1.059 . . . . 71.43 111.311 -178.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.59 -36.07 79.63 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 123.898 0.749 . . . . 63.23 112.603 -176.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -73.13 -36.86 66.79 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.677 0.791 . . . . 73.1 110.669 177.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 60.2 mm-40 -69.32 -33.87 73.81 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.28 0.632 . . . . 72.42 111.024 178.53 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 37.9 m0 -71.22 -38.42 72.01 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 123.206 0.602 . . . . 75.23 110.439 176.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 44.8 tp -64.26 -39.96 95.01 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.28 0.632 . . . . 71.12 110.833 177.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -64.95 -44.73 88.48 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.16 0.584 . . . . 74.54 110.525 173.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.13 -34.41 77.54 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.744 0.818 . . . . 61.22 111.779 -177.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -77.94 -50.04 12.96 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.173 0.589 . . . . 73.11 111.901 -177.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -83.92 173.04 11.54 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 112.764 0.653 . . . . 74.24 112.764 -172.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 35.4 m-80 -75.26 133.02 41.44 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 115.279 -0.873 . . . . 73.05 110.101 -179.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 20.1 m-80 . . . . . 0 N--CA 1.482 1.153 0 C-N-CA 123.931 0.892 . . . . 64.01 109.075 -179.059 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.941 0 N-CA-C 109.461 -0.57 . . . . 73.45 109.461 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.2 t70 64.93 33.08 10.16 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 124.217 1.007 . . . . 75.05 110.185 177.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -66.16 -61.64 1.92 Allowed 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.749 0.819 . . . . 73.44 112.44 -168.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 55.4 m-20 -62.12 -35.56 79.1 Favored 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 123.261 0.624 . . . . 74.25 110.561 -179.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.687 HG21 HG21 ' A' ' 31' ' ' ILE . 42.6 mt -67.73 -47.49 79.63 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 CA-C-N 114.804 -1.089 . . . . 61.54 111.1 -176.304 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.08 -26.66 67.81 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 123.998 0.811 . . . . 63.33 110.958 179.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -67.18 -52.73 37.8 Favored 'General case' 0 C--N 1.353 0.749 0 O-C-N 123.493 0.496 . . . . 71.24 110.308 172.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -63.07 -34.44 77.59 Favored 'General case' 0 N--CA 1.493 1.692 0 C-N-CA 123.08 0.552 . . . . 74.43 111.435 -179.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -69.51 -51.69 33.45 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.702 1.201 . . . . 71.52 109.349 -178.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.9 tmtt? -69.27 -27.52 65.49 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 124.078 0.951 . . . . 75.04 110.589 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.57 -27.6 60.56 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.439 0.695 . . . . 71.05 111.45 179.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.501 ' CE2' ' HG ' ' A' ' 28' ' ' LEU . 3.3 t80 -56.91 119.67 6.64 Favored 'General case' 0 C--N 1.357 0.924 0 N-CA-C 108.083 -1.08 . . . . 71.33 108.083 174.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.493 ' HG2' ' HG2' ' A' ' 14' ' ' LYS . 60.7 tttp -83.17 -86.41 0.11 Allowed 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 109.439 -0.578 . . . . 75.5 109.439 -174.023 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.493 ' HG2' ' HG2' ' A' ' 13' ' ' LYS . 17.9 ptmt -177.48 131.75 0.16 Allowed 'General case' 0 C--N 1.349 0.583 0 C-N-CA 124.365 1.066 . . . . 64.12 108.521 -178.73 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.411 ' HB2' ' HB2' ' A' ' 24' ' ' MET . . . -115.86 -35.8 4.36 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.031 0.532 . . . . 62.24 112.147 -169.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -74.58 -24.79 58.96 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.444 0.698 . . . . 72.25 111.598 -172.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -90.16 -16.7 29.01 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 122.446 0.298 . . . . 65.42 110.67 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.5 mt -100.05 159.25 15.24 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.407 0.683 . . . . 65.1 110.661 -179.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -69.24 -22.35 63.86 Favored 'General case' 0 CA--C 1.554 1.12 0 CA-C-N 114.949 -1.023 . . . . 65.13 109.797 170.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -98.9 104.93 17.02 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.262 1.025 . . . . 75.33 110.243 -178.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -99.59 -25.34 9.33 Favored Glycine 0 N--CA 1.468 0.776 0 N-CA-C 110.988 -0.845 . . . . 72.23 110.988 166.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -50.6 -33.44 22.15 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 125.972 1.709 . . . . 75.45 113.872 -177.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 82.5 mt -72.52 -49.94 29.31 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.619 0.768 . . . . 64.34 110.401 -178.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.422 ' HB3' ' CZ ' ' A' ' 12' ' ' TYR . 3.5 mpp? -87.34 177.21 7.2 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 115.013 -0.994 . . . . 63.44 110.251 178.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.39 -43.58 2.92 Favored Glycine 0 N--CA 1.481 1.684 0 N-CA-C 111.241 -0.744 . . . . 72.51 111.241 -172.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.2 ttm-85 -56.73 -39.01 73.16 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.255 1.422 . . . . 74.3 110.204 170.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.408 ' O ' HG13 ' A' ' 31' ' ' ILE . . . -64.72 -44.29 90.68 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 114.916 -1.038 . . . . 72.44 110.782 174.453 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.501 ' HG ' ' CE2' ' A' ' 12' ' ' TYR . 37.8 mt -57.45 -41.05 79.77 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.566 0.746 . . . . 72.24 111.142 176.781 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.43 ' OH ' ' HD2' ' A' ' 66' ' ' ARG . 44.4 t80 -61.95 -42.18 98.83 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-N 115.725 -0.67 . . . . 75.13 110.873 -179.042 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -63.95 -40.04 95.52 Favored 'General case' 0 N--CA 1.482 1.145 0 O-C-N 123.64 0.588 . . . . 75.05 110.972 177.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.687 HG21 HG21 ' A' ' 5' ' ' ILE . 89.0 mt -59.28 -43.21 89.4 Favored 'Isoleucine or valine' 0 C--N 1.355 0.845 0 C-N-CA 123.756 0.823 . . . . 71.5 109.698 176.651 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -61.88 -46.13 94.77 Favored Glycine 0 C--N 1.347 1.156 0 CA-C-N 115.168 -0.924 . . . . 71.12 113.09 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.4 mt -58.37 -38.28 76.94 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.285 0.634 . . . . 75.11 110.472 177.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -73.11 -33.01 65.3 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 124.156 0.982 . . . . 74.33 112.356 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.574 ' HE2' HG23 ' A' ' 5' ' ' ILE . 71.5 mmtt -69.33 -45.73 68.76 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.104 0.562 . . . . 75.15 110.102 176.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -61.63 -35.32 77.57 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.48 1.112 . . . . 75.02 109.709 177.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.4 tmmm? -62.64 -36.87 84.23 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.86 1.264 . . . . 73.13 111.634 179.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.422 ' HE3' ' HA ' ' A' ' 35' ' ' LYS . 57.4 mtm -81.71 -18.8 43.11 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 123.027 0.531 . . . . 72.32 111.766 178.465 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 116.94 -25.94 8.62 Favored Glycine 0 C--N 1.343 0.924 0 CA-C-O 119.702 -0.499 . . . . 72.31 112.295 -178.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -76.33 74.12 3.11 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-O 122.113 0.959 . . . . 75.12 110.565 179.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -82.66 -6.39 59.35 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 114.468 -1.242 . . . . 75.23 111.688 -174.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 -72.88 -47.67 44.01 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.019 0.527 . . . . 74.42 110.494 173.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -60.12 -44.62 94.76 Favored 'General case' 0 C--N 1.355 0.837 0 O-C-N 123.742 0.651 . . . . 64.24 109.379 172.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.54 -47.64 69.81 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 124.33 1.019 . . . . 74.22 111.799 178.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.71 -38.08 77.53 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 124.623 1.202 . . . . 74.44 111.251 -178.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -64.65 -50.46 67.01 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 123.813 0.696 . . . . 75.31 110.667 175.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.413 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 62.6 m-85 -63.61 -32.01 73.36 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 122.84 0.456 . . . . 73.23 112.043 -177.006 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.428 ' HE2' ' HB2' ' A' ' 74' ' ' ALA . 21.4 m-85 -69.66 -42.54 74.08 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 123.57 0.544 . . . . 75.34 110.157 175.034 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -66.91 -46.99 73.15 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 115.487 -0.779 . . . . 74.34 111.524 -177.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.419 ' O ' HG21 ' A' ' 54' ' ' VAL . 60.4 mtp85 -72.9 -31.95 65.02 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.751 0.821 . . . . 73.51 110.208 -176.17 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.71 -47.0 85.49 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 109.18 -0.674 . . . . 75.13 109.18 170.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.27 -32.96 71.66 Favored 'General case' 0 N--CA 1.48 1.038 0 O-C-N 124.157 0.911 . . . . 74.51 111.658 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.512 HG21 ' HE2' ' A' ' 57' ' ' LYS . 97.6 mt -67.05 -48.92 77.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 123.552 0.741 . . . . 74.31 110.346 175.259 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.419 HG21 ' O ' ' A' ' 50' ' ' ARG . 75.0 t -60.8 -42.33 91.94 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 C-N-CA 122.906 0.482 . . . . 73.22 110.482 179.745 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -67.94 -36.36 79.99 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.311 0.644 . . . . 73.21 111.592 178.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -67.39 -39.92 85.63 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 123.34 0.4 . . . . 62.11 110.929 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.512 ' HE2' HG21 ' A' ' 53' ' ' ILE . 67.7 mttm -54.89 -43.53 73.28 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.823 0.849 . . . . 75.32 111.515 170.2 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -82.04 -8.45 59.66 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 115.818 -0.628 . . . . 73.31 111.143 178.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 60.22 25.18 14.56 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 125.561 1.545 . . . . 73.42 111.616 -179.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -80.04 92.58 5.62 Favored 'General case' 0 C--O 1.245 0.836 0 CA-C-N 114.6 -1.182 . . . . 71.42 108.228 177.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 16.5 p -63.31 -26.98 69.01 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 114.96 -1.018 . . . . 74.35 113.026 -174.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -69.41 -45.43 69.24 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 123.724 0.64 . . . . 74.5 110.636 -177.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -71.02 -39.53 63.24 Favored Glycine 0 C--N 1.343 0.945 0 CA-C-N 115.847 -0.615 . . . . 72.21 112.298 178.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 65.6 tp -59.57 -43.38 93.61 Favored 'General case' 0 CA--C 1.554 1.101 0 C-N-CA 124.323 1.049 . . . . 72.4 110.569 174.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -66.42 -42.95 86.98 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 125.296 1.439 . . . . 74.15 110.871 178.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.43 ' HD2' ' OH ' ' A' ' 29' ' ' TYR . 0.2 OUTLIER -65.0 -42.69 94.25 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.128 0.971 . . . . 75.34 110.174 -178.693 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.29 -41.23 70.25 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.153 0.981 . . . . 70.12 111.138 -177.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.43 -39.99 89.24 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.855 0.862 . . . . 73.41 111.296 178.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.9 tmtt? -61.24 -46.31 90.92 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.466 1.106 . . . . 74.3 110.032 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 43.5 m -76.15 -29.25 57.69 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 123.368 0.667 . . . . 72.15 112.35 179.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.495 HD23 ' HB3' ' A' ' 91' ' ' ALA . 1.2 tt -59.51 -52.34 65.97 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 123.763 0.825 . . . . 74.22 110.001 -176.101 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.471 ' HA ' HD12 ' A' ' 75' ' ' ILE . 14.4 ptmm? -61.87 -36.94 82.73 Favored 'General case' 0 CA--C 1.552 1.02 0 CA-C-N 115.242 -0.89 . . . . 74.54 111.827 -177.541 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -77.16 -23.72 51.59 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.775 0.83 . . . . 74.34 111.119 -178.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.428 ' HB2' ' HE2' ' A' ' 48' ' ' PHE . . . -69.15 -38.84 78.99 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.81 -0.632 . . . . 75.13 110.428 172.621 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.686 HD11 ' HA ' ' A' ' 88' ' ' LYS . 58.0 mt -65.32 -41.8 92.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 123.697 0.799 . . . . 72.04 111.745 -175.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 6.2 p -70.66 -14.76 62.59 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 115.813 -0.631 . . . . 72.42 111.696 175.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -99.69 -10.71 21.61 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 123.825 0.85 . . . . 62.34 112.304 176.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 65.5 mt -62.35 118.73 43.2 Favored Pre-proline 0 N--CA 1.492 1.656 0 C-N-CA 122.933 0.493 . . . . 73.32 111.228 -178.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -81.75 166.01 17.54 Favored 'Trans proline' 0 C--N 1.368 1.603 0 C-N-CA 122.381 2.054 . . . . 74.41 110.302 169.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 62.95 101.23 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.127 0.971 . . . . 70.31 110.896 178.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -69.72 -6.38 31.43 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.667 0.787 . . . . 71.14 111.948 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -50.04 -41.07 46.94 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.624 1.17 . . . . 73.43 109.681 164.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -90.45 -103.46 1.21 Allowed Glycine 0 C--N 1.348 1.238 0 CA-C-N 115.391 -0.822 . . . . 63.43 112.139 170.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 22.7 tpp180 56.85 -83.07 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 125.662 1.585 . . . . 74.24 112.752 179.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.437 ' O ' ' HG2' ' A' ' 89' ' ' GLU . 63.7 tttp -65.01 -36.11 83.34 Favored 'General case' 0 C--N 1.359 0.986 0 C-N-CA 123.745 0.818 . . . . 72.23 112.712 -168.085 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' A' ' 87' ' ' ALA . 8.4 pt-20 -51.71 -45.99 63.76 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 123.154 0.582 . . . . 75.45 111.092 178.484 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.614 ' HA ' ' HE2' ' A' ' 90' ' ' MET . . . -78.82 -27.14 44.28 Favored 'General case' 0 C--O 1.242 0.677 0 C-N-CA 124.283 1.033 . . . . 60.54 111.866 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.686 ' HA ' HD11 ' A' ' 75' ' ' ILE . 13.2 tmtt? -62.67 -47.59 83.02 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 123.62 0.768 . . . . 75.14 109.886 -179.087 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 85' ' ' LYS . 9.2 mm-40 -57.51 -28.76 63.74 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 124.0 0.92 . . . . 74.25 112.252 -177.122 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.614 ' HE2' ' HA ' ' A' ' 87' ' ' ALA . 37.8 mtm -71.34 -35.28 71.11 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.573 0.749 . . . . 63.34 111.872 -178.572 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.495 ' HB3' HD23 ' A' ' 71' ' ' LEU . . . -63.67 -28.43 69.9 Favored 'General case' 0 N--CA 1.482 1.136 0 CA-C-O 119.549 -0.262 . . . . 51.3 111.477 178.55 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.492 ' O ' ' HG2' ' A' ' 96' ' ' GLU . 86.6 tttt -57.64 -48.8 78.46 Favored 'General case' 0 C--N 1.357 0.907 0 O-C-N 124.235 0.96 . . . . 74.31 109.154 173.511 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -61.74 -49.72 75.26 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 124.222 0.951 . . . . 73.34 111.29 -177.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.77 -32.53 70.68 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.2 0.6 . . . . 60.22 111.279 178.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.72 -40.19 56.03 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 123.56 0.744 . . . . 72.22 110.127 178.309 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.492 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 13.3 mm-40 -67.08 -35.81 80.64 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.498 0.719 . . . . 74.14 110.607 -179.737 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 40.8 m0 -67.5 -38.88 84.97 Favored 'General case' 0 C--N 1.347 0.473 0 CA-C-N 115.83 -0.623 . . . . 72.32 109.763 177.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 29.0 tp -63.68 -42.27 98.04 Favored 'General case' 0 CA--C 1.548 0.87 0 O-C-N 123.67 0.607 . . . . 63.33 110.332 176.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -64.89 -37.75 88.68 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.406 0.683 . . . . 73.32 111.502 176.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.84 -45.71 64.02 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.541 0.736 . . . . 64.24 110.804 -177.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -69.13 -32.43 71.8 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 115.131 -0.94 . . . . 73.51 110.905 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -85.46 65.95 9.44 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-O 121.583 0.706 . . . . 73.13 109.464 173.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -97.69 113.94 25.81 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.84 0.856 . . . . 65.14 109.599 178.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 6.6 p30 . . . . . 0 C--O 1.249 1.041 0 C-N-CA 123.19 0.596 . . . . 71.41 110.176 178.145 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.081 0 CA-C-O 120.617 0.246 . . . . 74.13 110.549 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -83.25 142.2 31.3 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.457 0.703 . . . . 73.13 110.44 176.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -155.77 -66.16 0.12 Allowed 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.22 0.608 . . . . 75.13 109.484 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 34.0 m-20 -65.13 -24.08 67.31 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.942 0.897 . . . . 71.45 111.069 -178.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.564 HG21 HG23 ' A' ' 31' ' ' ILE . 25.1 mt -58.82 -43.72 88.81 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 C-N-CA 124.351 1.06 . . . . 72.44 110.946 -179.349 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.35 -37.62 78.31 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.441 0.696 . . . . 70.01 111.021 178.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -62.71 -52.91 61.41 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.677 0.61 . . . . 75.5 110.401 176.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -66.3 -38.63 88.18 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 112.825 0.676 . . . . 74.51 112.825 -173.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -72.46 -17.04 61.8 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.023 0.529 . . . . 70.41 111.935 -179.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -104.65 -16.9 14.85 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.198 0.599 . . . . 72.43 110.884 175.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -85.23 -23.91 28.04 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.643 0.777 . . . . 73.51 110.46 176.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.669 ' HE2' ' HG ' ' A' ' 28' ' ' LEU . 14.3 t80 -128.44 150.5 50.11 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.615 -0.72 . . . . 74.1 110.034 -178.755 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.498 ' HZ3' ' HB2' ' A' ' 13' ' ' LYS . 9.3 mtmp? -123.0 -159.76 0.86 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.952 1.301 . . . . 75.0 107.7 -179.602 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -87.96 139.78 30.17 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 109.584 -0.524 . . . . 74.22 109.584 177.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.47 ' HB2' ' OH ' ' A' ' 12' ' ' TYR . . . -83.23 1.39 41.0 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 113.433 0.901 . . . . 70.34 113.433 -174.729 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -75.46 -21.94 57.69 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.145 0.578 . . . . 74.53 111.288 177.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -58.9 -53.18 61.25 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.946 0.898 . . . . 73.4 110.9 -174.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.3 mt -120.52 129.81 53.98 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-N 114.674 -1.148 . . . . 74.23 108.743 -179.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -75.21 85.58 2.42 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 123.749 0.82 . . . . 63.01 109.317 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -168.89 47.9 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.632 1.173 . . . . 71.55 109.778 -173.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.63 -18.1 50.91 Favored Glycine 0 CA--C 1.533 1.157 0 CA-C-N 115.549 -0.75 . . . . 72.33 114.701 -175.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.545 ' HG3' ' HG ' ' A' ' 23' ' ' LEU . 9.0 pt-20 -55.42 -37.59 67.86 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 124.638 1.175 . . . . 73.42 112.666 174.102 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.545 ' HG ' ' HG3' ' A' ' 22' ' ' GLU . 81.4 mt -84.69 -8.06 59.0 Favored 'General case' 0 C--O 1.241 0.635 0 C-N-CA 123.653 0.781 . . . . 72.44 111.902 -173.057 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.432 ' HB2' ' CE1' ' A' ' 12' ' ' TYR . 18.8 ptp -145.75 -162.41 1.51 Allowed 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 112.141 0.423 . . . . 74.22 112.141 -170.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.59 -46.24 2.55 Favored Glycine 0 C--N 1.364 2.123 0 C-N-CA 122.753 0.215 . . . . 73.14 112.816 179.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 70.4 mtt180 -60.19 -25.93 65.96 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.643 1.177 . . . . 71.15 111.917 -177.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.424 ' O ' HG13 ' A' ' 31' ' ' ILE . . . -68.03 -36.35 79.78 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 122.777 0.431 . . . . 74.11 111.777 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.669 ' HG ' ' HE2' ' A' ' 12' ' ' TYR . 41.7 mt -61.04 -45.37 95.04 Favored 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 109.943 -0.392 . . . . 72.12 109.943 173.028 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -53.59 -38.02 63.52 Favored 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 124.109 0.963 . . . . 72.32 110.863 178.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -65.19 -41.86 94.17 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.609 0.763 . . . . 72.0 111.273 176.571 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.564 HG23 HG21 ' A' ' 5' ' ' ILE . 22.3 mt -64.99 -33.48 64.0 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 C-N-CA 123.466 0.707 . . . . 75.23 109.835 178.504 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.406 ' HA2' ' HA ' ' A' ' 44' ' ' ALA . . . -61.95 -47.24 91.35 Favored Glycine 0 C--N 1.353 1.495 0 CA-C-N 115.113 -0.949 . . . . 64.13 111.998 175.259 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.0 mt -58.87 -36.72 75.09 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.721 0.808 . . . . 75.14 111.371 176.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -69.93 -44.91 68.62 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.612 0.765 . . . . 75.42 112.014 -178.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.509 ' HA ' ' HE2' ' A' ' 38' ' ' MET . 48.2 mttp -72.57 -27.68 62.34 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 122.544 0.338 . . . . 71.52 111.809 179.513 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -66.09 -28.42 68.81 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.443 0.697 . . . . 73.33 111.037 178.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -64.49 -33.17 75.26 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.84 0.856 . . . . 75.53 111.113 176.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.509 ' HE2' ' HA ' ' A' ' 35' ' ' LYS . 70.0 mtm -82.09 1.9 33.79 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.608 0.763 . . . . 74.05 111.469 177.443 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.94 4.27 90.33 Favored Glycine 0 C--N 1.349 1.275 0 C-N-CA 123.062 0.363 . . . . 62.42 112.706 -177.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -84.94 73.57 10.65 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-O 121.58 0.705 . . . . 73.04 109.124 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.21 -23.24 57.58 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 114.508 -1.224 . . . . 75.41 111.448 -177.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.585 ' HG3' ' HA3' ' A' ' 83' ' ' GLY . 2.5 tmm_? -72.18 -50.14 29.98 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 108.868 -0.79 . . . . 75.25 108.868 176.709 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.3 mp0 -64.01 -34.17 77.4 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 114.321 -1.309 . . . . 75.21 109.535 178.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.406 ' HA ' ' HA2' ' A' ' 32' ' ' GLY . . . -65.37 -43.48 90.6 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.963 0.905 . . . . 61.53 110.865 172.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.31 -30.29 71.34 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.137 0.975 . . . . 75.11 111.409 -178.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.51 ' HA ' ' HE3' ' A' ' 90' ' ' MET . 80.5 mm-40 -56.97 -47.89 79.68 Favored 'General case' 0 C--N 1.353 0.723 0 O-C-N 123.954 0.784 . . . . 74.34 110.412 173.042 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.494 ' HE2' ' HD2' ' A' ' 35' ' ' LYS . 65.9 m-85 -74.09 -32.87 63.43 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.574 -0.739 . . . . 75.15 112.285 -176.664 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -69.77 -32.39 70.87 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 123.562 0.539 . . . . 74.25 110.623 175.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -75.59 -49.98 16.94 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.719 0.808 . . . . 75.21 111.648 178.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.471 ' O ' HG21 ' A' ' 54' ' ' VAL . 80.0 mtt-85 -71.52 -29.23 64.54 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 115.624 -0.716 . . . . 74.25 110.276 -175.065 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.14 -41.81 76.81 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 109.636 -0.505 . . . . 75.52 109.636 168.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.3 -31.67 71.51 Favored 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 123.372 0.669 . . . . 75.24 111.714 178.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 93.1 mt -62.81 -48.83 86.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 123.854 0.861 . . . . 64.15 109.663 172.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.471 HG21 ' O ' ' A' ' 50' ' ' ARG . 52.5 t -60.44 -42.73 92.18 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 C-N-CA 123.299 0.64 . . . . 73.34 110.708 -179.08 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -67.98 -41.69 81.95 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 115.344 -0.844 . . . . 73.21 110.774 179.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -65.89 -47.09 76.01 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.665 0.786 . . . . 75.22 111.749 -178.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -55.1 -37.38 66.76 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.515 0.726 . . . . 75.31 110.997 174.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -87.9 -10.69 49.91 Favored 'General case' 0 CA--C 1.551 0.987 0 CA-C-N 115.781 -0.645 . . . . 74.54 111.473 -178.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 70.05 37.43 1.71 Allowed 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 125.354 1.462 . . . . 75.52 113.236 176.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -80.09 103.54 10.04 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.086 0.954 . . . . 61.11 109.044 168.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.3 p -62.43 -48.39 79.88 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 122.775 0.43 . . . . 74.04 111.248 173.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -69.68 -36.81 76.31 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 123.99 0.806 . . . . 73.31 111.308 -177.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -65.58 -50.78 52.76 Favored Glycine 0 C--N 1.353 1.497 0 O-C-N 123.466 0.479 . . . . 73.21 112.242 176.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 65.2 tp -60.26 -39.98 88.72 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.449 1.1 . . . . 75.33 110.779 177.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.7 ttt180 -62.07 -46.0 91.06 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.576 1.15 . . . . 61.25 110.958 177.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.43 -43.53 80.95 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 115.915 -0.584 . . . . 61.4 110.002 -176.468 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.412 ' O ' ' HB2' ' A' ' 71' ' ' LEU . . . -70.13 -36.32 74.69 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.719 0.808 . . . . 71.5 111.393 -179.278 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -73.27 -38.16 66.02 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.697 0.799 . . . . 64.35 111.202 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.401 ' O ' ' HG2' ' A' ' 73' ' ' GLU . 64.3 tttt -71.54 -40.78 69.83 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 115.754 -0.657 . . . . 73.02 110.073 -178.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 40.6 m -68.55 -30.36 69.13 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.7 0.8 . . . . 74.34 111.16 174.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.496 ' O ' HG12 ' A' ' 75' ' ' ILE . 0.6 OUTLIER -62.09 -43.95 97.72 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 115.384 -0.825 . . . . 74.05 108.818 175.147 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -65.75 -38.74 89.93 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.75 0.82 . . . . 75.45 111.455 178.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' A' ' 69' ' ' LYS . 12.4 mm-40 -62.01 -31.65 72.05 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.114 0.565 . . . . 73.02 110.739 174.631 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.471 ' O ' HG13 ' A' ' 78' ' ' ILE . . . -72.25 -43.41 64.38 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 115.738 -0.664 . . . . 74.05 110.527 174.203 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.496 HG12 ' O ' ' A' ' 71' ' ' LEU . 32.8 mm -59.78 -44.19 93.38 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.051 0 C-N-CA 123.398 0.679 . . . . 55.11 111.264 -174.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 22.3 p -67.83 -14.29 62.83 Favored 'General case' 0 CA--C 1.551 1.004 0 CA-C-N 115.656 -0.702 . . . . 73.1 112.152 -179.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -104.83 -12.46 16.27 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.934 0.894 . . . . 71.51 112.093 174.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' ' 74' ' ' ALA . 92.6 mt -72.54 132.6 83.49 Favored Pre-proline 0 N--CA 1.484 1.246 0 C-N-CA 123.396 0.678 . . . . 72.31 109.321 173.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.434 ' HG2' ' HB2' ' A' ' 82' ' ' GLU . 31.8 Cg_endo -61.65 154.58 59.14 Favored 'Trans proline' 0 C--N 1.375 1.937 0 C-N-CA 122.751 2.301 . . . . 74.05 111.015 173.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -70.97 -0.25 8.91 Favored 'General case' 0 CA--C 1.567 1.618 0 N-CA-C 112.707 0.632 . . . . 64.4 112.707 -171.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -120.4 -62.2 1.49 Allowed 'General case' 0 N--CA 1.484 1.245 0 O-C-N 121.294 -0.879 . . . . 62.31 112.078 175.139 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.434 ' HB2' ' HG2' ' A' ' 79' ' ' PRO . 35.9 mm-40 -63.08 99.19 0.16 Allowed 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.093 0.557 . . . . 75.15 112.328 -171.523 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.585 ' HA3' ' HG3' ' A' ' 42' ' ' ARG . . . 65.24 19.23 66.04 Favored Glycine 0 C--N 1.356 1.661 0 CA-C-N 115.216 -0.902 . . . . 70.12 113.965 179.519 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 23.3 tpt180 -72.17 -54.42 9.75 Favored 'General case' 0 C--O 1.225 -0.198 0 N-CA-C 107.561 -1.274 . . . . 75.45 107.561 173.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -76.0 69.84 2.64 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 108.133 -1.062 . . . . 74.31 108.133 170.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 177.43 -77.97 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.182 1.393 . . . . 71.02 108.505 -173.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.537 ' HA ' ' HE2' ' A' ' 90' ' ' MET . . . -72.85 -28.54 62.59 Favored 'General case' 0 C--N 1.35 0.627 0 C-N-CA 123.738 0.815 . . . . 71.21 112.252 -172.293 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -65.01 -38.99 92.75 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.879 0.872 . . . . 71.31 109.588 178.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.8 mp0 -73.85 -30.65 62.78 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 114.936 -1.029 . . . . 72.13 110.543 176.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.537 ' HE2' ' HA ' ' A' ' 87' ' ' ALA . 32.8 mtm -67.66 -34.81 77.68 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.018 0.527 . . . . 74.33 110.776 173.614 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.474 ' HA ' HD13 ' A' ' 71' ' ' LEU . . . -66.34 -34.67 78.5 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.42 0.688 . . . . 73.3 110.308 174.732 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.536 ' O ' ' HG2' ' A' ' 96' ' ' GLU . 18.7 mmtt -70.3 -37.34 74.76 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-N 114.928 -1.033 . . . . 71.13 110.899 174.677 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.591 ' HE2' ' HA ' ' A' ' 93' ' ' LYS . 8.8 mmpt? -58.27 -52.7 64.47 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 122.773 0.429 . . . . 73.4 110.681 178.361 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.04 -30.06 71.3 Favored 'General case' 0 CA--C 1.546 0.815 0 O-C-N 124.271 0.982 . . . . 61.21 111.806 179.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.436 ' O ' ' HG3' ' A' ' 99' ' ' GLN . 4.4 tm-20 -71.36 -44.09 65.69 Favored 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 123.965 0.906 . . . . 71.2 110.096 178.181 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.536 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 28.5 mm-40 -63.68 -41.01 98.21 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.76 0.824 . . . . 75.44 111.021 177.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 52.1 m0 -61.77 -45.23 94.8 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.054 -0.976 . . . . 73.32 110.313 178.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 34.5 tp -60.61 -32.67 71.8 Favored 'General case' 0 CA--C 1.547 0.843 0 O-C-N 124.176 0.923 . . . . 73.11 111.345 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.436 ' HG3' ' O ' ' A' ' 95' ' ' GLU . 70.3 mt-30 -64.44 -48.96 73.36 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.04 0.536 . . . . 75.42 110.498 176.028 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.05 -29.68 68.71 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 115.836 -0.62 . . . . 75.25 111.656 -178.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -71.87 -13.74 61.75 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.781 0.833 . . . . 65.05 112.318 178.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -157.96 75.7 0.77 Allowed 'General case' 0 N--CA 1.474 0.768 0 CA-C-O 121.756 0.789 . . . . 73.22 109.562 175.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -113.57 144.65 42.52 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.405 0.682 . . . . 70.12 110.033 -176.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 55.1 m-80 . . . . . 0 CA--C 1.545 0.773 0 N-CA-C 108.67 -0.863 . . . . 73.23 108.67 174.052 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.18 0 CA-C-O 121.077 0.465 . . . . 71.41 110.802 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -78.2 12.38 1.91 Allowed 'General case' 0 CA--C 1.559 1.297 0 C-N-CA 124.199 1.0 . . . . 74.11 112.676 -178.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -51.26 -47.63 62.41 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.938 1.295 . . . . 75.41 111.799 178.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -69.24 -39.56 78.41 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 115.177 -0.92 . . . . 72.23 110.454 -177.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.603 HD11 ' HZ2' ' A' ' 35' ' ' LYS . 66.4 mt -56.26 -45.49 81.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 124.195 0.998 . . . . 74.51 110.784 179.21 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.51 -40.0 71.22 Favored 'General case' 0 C--N 1.353 0.731 0 O-C-N 124.303 1.002 . . . . 73.44 111.528 -179.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -65.88 -47.69 74.0 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.386 0.675 . . . . 74.21 111.018 178.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -68.2 -28.33 67.17 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.206 0.603 . . . . 75.32 111.8 -173.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -73.46 -38.88 65.3 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.111 0.564 . . . . 73.23 110.793 177.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -70.66 -30.46 67.07 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.103 0.561 . . . . 75.33 110.357 176.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.87 -34.71 66.91 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.523 0.729 . . . . 73.23 110.03 174.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.568 ' CE2' ' HG ' ' A' ' 28' ' ' LEU . 0.6 OUTLIER -91.63 57.71 3.33 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 108.023 -1.102 . . . . 65.22 108.023 177.224 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.543 ' HB3' ' HZ2' ' A' ' 13' ' ' LYS . 3.6 ttpm? -93.95 102.57 14.67 Favored 'General case' 0 C--O 1.248 1.017 0 N-CA-C 108.722 -0.844 . . . . 71.5 108.722 -176.147 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.7 tttm 64.81 21.05 12.29 Favored 'General case' 0 CA--C 1.553 1.076 0 O-C-N 124.162 0.914 . . . . 75.11 110.816 170.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.676 ' HB1' ' HE3' ' A' ' 24' ' ' MET . . . -84.95 67.67 10.26 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.426 1.09 . . . . 70.22 109.534 -176.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -139.5 12.34 2.54 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.939 0.896 . . . . 75.23 109.745 -175.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -134.21 177.02 8.08 Favored 'General case' 0 C--O 1.246 0.911 0 C-N-CA 123.396 0.678 . . . . 73.1 111.652 -168.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 72.15 13.67 5.74 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 125.104 1.362 . . . . 64.53 111.504 167.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 51.96 68.06 0.87 Allowed 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.467 1.107 . . . . 72.02 109.973 -172.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -129.56 158.19 39.97 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-N 114.984 -1.007 . . . . 71.02 108.944 -178.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -154.88 -36.83 0.02 OUTLIER Glycine 0 C--N 1.338 0.645 0 O-C-N 123.68 0.612 . . . . 63.43 113.455 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -61.17 -36.08 78.84 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.078 0.551 . . . . 71.22 111.027 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.7 mt -75.68 -4.4 40.08 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 112.935 0.717 . . . . 75.44 112.935 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.676 ' HE3' ' HB1' ' A' ' 15' ' ' ALA . 9.5 ptp -143.08 -170.75 3.32 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.572 0.749 . . . . 74.42 110.096 -174.045 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.04 -55.94 3.94 Favored Glycine 0 C--N 1.348 1.247 0 C-N-CA 123.096 0.379 . . . . 72.43 113.321 -177.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 62.5 mtp180 -55.06 -42.14 72.37 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.785 1.234 . . . . 74.52 111.383 178.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.41 ' HB2' ' HD2' ' A' ' 12' ' ' TYR . . . -60.52 -41.27 94.05 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 123.958 0.786 . . . . 74.53 111.063 178.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.568 ' HG ' ' CE2' ' A' ' 12' ' ' TYR . 54.1 mt -62.44 -48.35 80.06 Favored 'General case' 0 N--CA 1.484 1.226 0 O-C-N 123.634 0.584 . . . . 73.31 110.559 175.33 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -50.86 -45.08 59.68 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.586 1.154 . . . . 75.33 111.624 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 -65.08 -36.72 85.23 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.178 0.591 . . . . 75.45 111.785 179.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.455 HG22 HG21 ' A' ' 5' ' ' ILE . 67.3 mt -65.01 -37.05 79.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 122.861 0.464 . . . . 74.01 109.917 174.517 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -61.27 -42.11 99.69 Favored Glycine 0 C--N 1.349 1.294 0 CA-C-N 115.257 -0.883 . . . . 72.22 112.223 178.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 88.8 mt -57.94 -47.17 83.69 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.278 0.631 . . . . 74.33 110.134 176.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -57.61 -44.05 85.18 Favored 'General case' 0 CA--C 1.547 0.836 0 O-C-N 124.499 1.124 . . . . 72.11 111.858 177.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.603 ' HZ2' HD11 ' A' ' 5' ' ' ILE . 44.6 mmtm -63.88 -46.68 83.83 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.458 0.703 . . . . 75.51 110.869 179.487 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -62.71 -37.7 87.53 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 124.402 1.064 . . . . 73.44 110.853 -175.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -70.02 -29.9 67.07 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 115.645 -0.707 . . . . 71.33 111.532 177.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 73.0 mtm -79.54 -2.05 40.51 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 122.826 0.451 . . . . 74.34 111.46 174.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.98 -4.89 84.88 Favored Glycine 0 C--N 1.352 1.454 0 C-N-CA 122.897 0.284 . . . . 71.12 112.862 -178.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -90.16 54.9 2.92 Favored 'General case' 0 C--O 1.238 0.495 0 C-N-CA 124.294 1.037 . . . . 75.51 110.103 -177.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.34 -15.83 63.41 Favored 'General case' 0 C--N 1.348 0.535 0 CA-C-N 114.454 -1.248 . . . . 62.3 111.98 -177.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.85 -52.02 64.74 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 108.575 -0.898 . . . . 73.15 108.575 175.422 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.439 ' O ' ' HB2' ' A' ' 46' ' ' GLU . 8.2 mp0 -69.63 -34.88 74.67 Favored 'General case' 0 C--O 1.217 -0.653 0 CA-C-N 115.02 -0.991 . . . . 74.02 110.333 176.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.01 -41.88 79.3 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 122.836 0.454 . . . . 64.11 111.03 176.143 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.83 -29.99 71.13 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 124.193 0.933 . . . . 74.21 111.691 179.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.439 ' HB2' ' O ' ' A' ' 43' ' ' GLU . 40.0 mm-40 -60.1 -52.75 64.0 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 123.611 0.569 . . . . 74.01 110.086 171.168 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.406 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 93.6 m-85 -65.77 -36.44 83.56 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.465 0.706 . . . . 75.44 111.821 -175.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -72.78 -32.25 65.46 Favored 'General case' 0 N--CA 1.479 0.976 0 O-C-N 123.664 0.603 . . . . 73.03 110.765 178.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.565 ' HE1' ' HB2' ' A' ' 93' ' ' LYS . 44.9 t80 -71.94 -50.55 28.0 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.002 0.521 . . . . 73.02 110.49 178.035 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 76.8 mtp180 -64.32 -37.07 86.19 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 124.049 0.843 . . . . 75.13 110.537 -178.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.08 -46.59 86.72 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 123.797 0.686 . . . . 75.02 109.656 173.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.8 -34.84 75.13 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 123.838 0.711 . . . . 74.24 111.502 -179.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.41 HG13 ' O ' ' A' ' 49' ' ' PHE . 68.7 mt -60.35 -50.44 80.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 C-N-CA 123.212 0.605 . . . . 71.43 109.598 173.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 72.1 t -61.82 -44.41 98.77 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.165 0 C-N-CA 124.03 0.932 . . . . 71.14 111.598 -177.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -67.4 -30.59 70.4 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.284 0.633 . . . . 72.23 111.211 178.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -69.72 -41.93 74.68 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.663 0.785 . . . . 74.2 111.01 176.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -60.16 -35.97 76.52 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.334 0.654 . . . . 71.34 111.196 172.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -85.09 -11.11 55.97 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 122.909 0.484 . . . . 63.31 112.014 176.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 81.6 m-70 60.78 25.67 15.51 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.307 1.043 . . . . 73.14 112.135 178.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -81.22 101.09 9.48 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.217 1.007 . . . . 72.22 108.355 176.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.41 HG21 ' HB3' ' A' ' 101' ' ' GLU . 18.0 p -59.86 -35.78 75.49 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.348 1.059 . . . . 74.11 112.029 -177.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -69.05 -50.8 45.3 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.428 0.691 . . . . 74.41 110.745 -175.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -70.85 -36.64 65.83 Favored Glycine 0 C--N 1.347 1.164 0 O-C-N 123.769 0.668 . . . . 74.45 113.11 179.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 65.6 tp -60.52 -47.28 86.86 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.766 0.826 . . . . 73.54 110.037 176.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 56.3 ttp180 -71.93 -29.03 63.87 Favored 'General case' 0 N--CA 1.476 0.873 0 O-C-N 124.474 1.109 . . . . 73.45 110.91 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -66.37 -49.58 66.4 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.014 0.526 . . . . 74.42 110.1 177.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.419 ' O ' ' HB2' ' A' ' 71' ' ' LEU . . . -74.03 -30.93 62.67 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.131 -0.941 . . . . 64.32 110.971 179.721 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.09 -44.47 76.17 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.115 0.566 . . . . 75.13 110.812 176.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.467 ' HA ' ' HE3' ' A' ' 72' ' ' LYS . 16.0 tppt? -60.3 -53.68 54.72 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 124.045 0.84 . . . . 74.05 109.45 177.181 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.1 t -64.55 -30.1 71.13 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 124.64 1.212 . . . . 61.52 111.039 -175.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.435 HD21 ' HB3' ' A' ' 91' ' ' ALA . 0.9 OUTLIER -60.34 -52.04 66.96 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.73 0.812 . . . . 75.2 108.922 173.768 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.501 ' HZ1' ' HB2' ' A' ' 72' ' ' LYS . 8.9 mtmp? -66.83 -37.2 84.05 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.649 0.78 . . . . 74.51 111.615 -177.067 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 69' ' ' LYS . 9.9 mm-40 -74.82 -24.3 58.6 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 109.962 -0.385 . . . . 64.51 109.962 179.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.493 ' O ' HG13 ' A' ' 78' ' ' ILE . . . -70.32 -37.67 74.77 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-O 119.017 -0.516 . . . . 73.12 109.941 171.426 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.419 HG12 ' O ' ' A' ' 71' ' ' LEU . 37.2 mm -53.68 -44.49 58.55 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 C-N-CA 123.931 0.892 . . . . 75.34 112.5 -173.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 11.9 t -69.52 -30.44 68.28 Favored 'General case' 0 CA--C 1.551 1.006 0 O-C-N 123.268 0.355 . . . . 73.42 110.71 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -85.22 -8.54 58.51 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.035 0.934 . . . . 74.22 111.828 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.493 HG13 ' O ' ' A' ' 74' ' ' ALA . 38.1 mt -68.87 141.24 92.13 Favored Pre-proline 0 N--CA 1.484 1.241 0 C-N-CA 123.724 0.81 . . . . 74.51 111.337 -179.503 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.421 ' O ' HG23 ' A' ' 78' ' ' ILE . 32.4 Cg_exo -44.77 147.3 1.89 Allowed 'Trans proline' 0 C--N 1.381 2.251 0 C-N-CA 123.887 3.058 . . . . 65.52 114.539 165.054 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -80.88 -17.74 49.6 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 124.273 1.029 . . . . 75.24 112.134 -167.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -68.49 -70.77 0.25 Allowed 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.266 0.626 . . . . 70.54 112.254 -167.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -118.07 -32.27 4.79 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.156 0.583 . . . . 73.0 111.585 -171.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -65.08 -23.46 69.65 Favored Glycine 0 C--N 1.345 1.064 0 N-CA-C 115.095 0.798 . . . . 73.41 115.095 -168.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 -64.54 -51.45 62.79 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 109.574 -0.528 . . . . 71.03 109.574 177.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -86.3 14.9 5.84 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 112.84 0.682 . . . . 72.33 112.84 -171.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.83 -49.85 0.7 Allowed 'General case' 0 N--CA 1.484 1.27 0 O-C-N 121.954 -0.466 . . . . 75.23 111.769 177.36 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.547 ' HA ' ' HE3' ' A' ' 90' ' ' MET . . . -75.43 -34.34 60.99 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 112.038 0.385 . . . . 73.34 112.038 -176.767 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.402 ' HG2' ' HZ2' ' A' ' 92' ' ' LYS . 53.8 tttm -63.35 -29.45 70.76 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.345 0.658 . . . . 75.31 110.208 176.043 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.571 ' HA ' ' HD3' ' A' ' 92' ' ' LYS . 6.5 mm-40 -73.28 -39.41 65.38 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.71 0.804 . . . . 74.33 110.502 178.733 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.547 ' HE3' ' HA ' ' A' ' 87' ' ' ALA . 47.0 mtm -63.66 -34.0 76.87 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 116.054 -0.521 . . . . 75.03 110.738 174.812 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.435 ' HB3' HD21 ' A' ' 71' ' ' LEU . . . -61.34 -26.89 68.11 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 115.523 -0.762 . . . . 60.44 111.792 177.213 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.571 ' HD3' ' HA ' ' A' ' 89' ' ' GLU . 14.1 mptt -60.95 -43.05 99.25 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 123.215 0.322 . . . . 73.15 110.592 173.02 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.565 ' HB2' ' HE1' ' A' ' 49' ' ' PHE . 73.4 mmtt -59.6 -46.64 88.37 Favored 'General case' 0 N--CA 1.48 1.046 0 O-C-N 123.713 0.633 . . . . 70.21 110.175 -179.128 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.46 -32.35 68.65 Favored 'General case' 0 CA--C 1.548 0.903 0 O-C-N 124.431 1.082 . . . . 74.41 111.855 178.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.415 ' O ' ' HG3' ' A' ' 99' ' ' GLN . 48.1 mt-10 -72.12 -47.86 48.01 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.523 0.729 . . . . 71.53 110.28 174.589 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 32.3 mm-40 -60.86 -37.65 82.86 Favored 'General case' 0 N--CA 1.483 1.189 0 O-C-N 123.996 0.81 . . . . 75.31 111.446 -175.164 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 29.5 m0 -68.82 -43.45 75.55 Favored 'General case' 0 C--O 1.224 -0.249 0 O-C-N 124.192 0.932 . . . . 72.5 110.193 177.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 52.6 tp -61.9 -43.71 98.28 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 123.56 0.537 . . . . 75.02 110.828 179.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.415 ' HG3' ' O ' ' A' ' 95' ' ' GLU . 74.8 mt-30 -67.7 -30.69 70.27 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.656 0.782 . . . . 65.52 110.655 -179.49 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -69.85 -41.63 74.64 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.483 0.713 . . . . 73.25 110.755 175.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.41 ' HB3' HG21 ' A' ' 61' ' ' THR . 61.5 mm-40 -74.6 -28.52 60.94 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.524 0.73 . . . . 72.21 111.681 -178.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -87.14 76.05 9.32 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.399 0.68 . . . . 75.51 109.344 178.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -79.64 122.21 26.25 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 115.152 -0.931 . . . . 75.14 108.896 178.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 55.6 m-20 . . . . . 0 CA--C 1.558 1.262 0 C-N-CA 125.241 1.416 . . . . 64.42 109.434 -173.014 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.63 0 N-CA-C 109.022 -0.733 . . . . 74.24 109.022 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -159.78 32.39 0.18 Allowed 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 115.658 -0.701 . . . . 74.34 110.669 -173.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -64.45 -63.56 1.1 Allowed 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.238 0.615 . . . . 75.54 110.687 -178.149 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -62.9 -32.46 73.74 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 122.748 0.419 . . . . 71.14 110.727 179.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 68.7 mt -60.33 -41.19 86.28 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.219 0 C-N-CA 124.284 1.034 . . . . 72.23 111.172 175.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.476 ' O ' ' HG2' ' A' ' 10' ' ' LYS . . . -58.81 -34.82 71.94 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.546 0.738 . . . . 74.21 111.341 -177.346 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 53.6 tttm -58.99 -48.22 82.36 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.861 0.864 . . . . 73.55 110.733 174.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -69.72 -30.47 68.09 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 115.862 -0.608 . . . . 73.21 110.799 -177.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -64.13 -50.53 67.88 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.721 0.808 . . . . 71.41 110.824 176.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.476 ' HG2' ' O ' ' A' ' 6' ' ' ALA . 74.1 mmtt -64.68 -43.63 92.93 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.242 0.617 . . . . 75.4 110.926 -177.715 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.09 -43.98 85.74 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 115.139 -0.937 . . . . 64.1 111.924 -176.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.427 ' CE2' ' HG ' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -92.29 116.79 29.27 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 122.947 0.499 . . . . 74.55 109.817 -175.49 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.2 tpmt? -159.46 5.27 0.09 Allowed 'General case' 0 N--CA 1.481 1.092 0 O-C-N 123.799 0.687 . . . . 74.12 110.847 172.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.559 ' HB2' ' SD ' ' A' ' 24' ' ' MET . 95.4 mttt -115.92 -41.93 3.14 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 113.601 0.963 . . . . 74.45 113.601 -163.256 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.463 ' HB1' ' HE2' ' A' ' 24' ' ' MET . . . -74.89 81.04 2.14 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 122.635 0.374 . . . . 74.4 111.6 -175.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 159.09 -36.32 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 127.998 2.519 . . . . 72.44 107.479 173.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -68.52 -61.7 1.72 Allowed 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 115.034 -0.985 . . . . 75.01 109.251 174.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.498 HD21 ' N ' ' A' ' 19' ' ' ASN . 7.5 tt -102.35 162.82 12.62 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 107.321 -1.362 . . . . 65.43 107.321 170.055 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.498 ' N ' HD21 ' A' ' 18' ' ' LEU . 2.4 m-20 -46.07 -66.1 0.45 Allowed 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.879 1.271 . . . . 75.54 111.394 178.613 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 75.7 mm-40 52.99 -155.83 0.19 Allowed 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 123.927 0.891 . . . . 73.5 113.053 169.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 120.87 163.19 11.96 Favored Glycine 0 C--N 1.347 1.173 0 CA-C-O 119.865 -0.408 . . . . 72.52 113.436 165.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 67.51 -59.6 0.4 Allowed 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 125.879 1.672 . . . . 74.14 111.278 -172.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 71.6 mt -43.0 -37.71 2.0 Allowed 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 125.745 1.618 . . . . 72.31 112.079 172.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.559 ' SD ' ' HB2' ' A' ' 14' ' ' LYS . 11.4 mtm -121.29 172.06 8.29 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.327 1.051 . . . . 74.43 109.58 175.41 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.77 -44.66 1.49 Allowed Glycine 0 N--CA 1.468 0.798 0 N-CA-C 109.544 -1.422 . . . . 74.2 109.544 -170.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.3 tpp180 -59.88 -40.44 88.69 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 124.136 0.975 . . . . 74.43 109.631 174.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.29 -43.21 78.63 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.069 0.948 . . . . 74.45 111.417 176.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.527 HD22 HD12 ' A' ' 31' ' ' ILE . 36.5 mt -65.07 -45.71 84.21 Favored 'General case' 0 C--N 1.361 1.077 0 O-C-N 123.482 0.488 . . . . 75.22 110.854 178.381 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.402 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 78.5 t80 -52.74 -42.17 64.69 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.04 0.936 . . . . 75.1 110.625 175.163 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.42 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 18.8 m120 -73.1 -31.15 64.16 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 123.671 0.788 . . . . 74.0 112.696 -177.66 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.527 HD12 HD22 ' A' ' 28' ' ' LEU . 73.4 mt -65.95 -38.82 82.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 N-CA-C 109.189 -0.671 . . . . 74.03 109.189 172.185 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.473 ' HA2' ' HA ' ' A' ' 44' ' ' ALA . . . -61.03 -40.28 98.28 Favored Glycine 0 C--N 1.349 1.275 0 CA-C-N 114.289 -1.323 . . . . 72.44 112.042 175.461 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 29' ' ' TYR . 83.0 mt -59.79 -41.67 91.68 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.088 0.555 . . . . 72.32 110.726 177.627 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' A' ' 30' ' ' ASN . 14.9 mm-40 -72.25 -38.88 68.79 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.17 0.588 . . . . 73.1 112.106 -175.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -77.12 -32.79 56.71 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 111.445 0.165 . . . . 71.0 111.445 -179.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -67.94 -33.11 74.05 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 109.419 -0.586 . . . . 73.23 109.419 173.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -65.82 -36.34 83.21 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 125.154 1.381 . . . . 75.23 110.652 175.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 68.9 mtm -91.61 10.15 29.25 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.606 0.762 . . . . 72.4 111.62 178.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 92.73 -15.64 62.12 Favored Glycine 0 C--N 1.357 1.696 0 N-CA-C 114.395 0.518 . . . . 73.05 114.395 171.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 40.2 mtmt -84.35 70.05 10.57 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 123.752 0.821 . . . . 74.33 109.741 -177.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.48 -15.03 61.33 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 114.881 -1.054 . . . . 74.23 112.776 -173.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.4 ttp180 -71.53 -53.14 14.81 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.324 0.649 . . . . 75.53 111.112 176.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -59.17 -44.0 92.13 Favored 'General case' 0 N--CA 1.48 1.075 0 O-C-N 123.787 0.679 . . . . 74.33 109.456 175.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.473 ' HA ' ' HA2' ' A' ' 32' ' ' GLY . . . -53.73 -45.12 70.4 Favored 'General case' 0 C--N 1.346 0.414 0 CA-C-N 114.197 -1.365 . . . . 74.23 111.636 178.22 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.42 -38.01 85.57 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 124.223 0.952 . . . . 62.33 111.899 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -64.48 -39.03 93.03 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.172 0.589 . . . . 74.4 110.689 177.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.491 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 55.2 m-85 -71.46 -35.73 70.96 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.17 0.588 . . . . 75.21 112.015 -179.743 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.416 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 23.3 m-85 -65.88 -38.83 89.82 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 123.698 0.623 . . . . 74.23 110.146 174.063 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -64.18 -51.55 63.22 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.4 0.68 . . . . 75.32 110.92 178.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -61.02 -37.41 82.44 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.756 0.823 . . . . 74.21 110.845 179.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.47 -49.57 77.05 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 115.332 -0.849 . . . . 73.04 109.794 175.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.33 -31.42 71.28 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 114.8 -1.091 . . . . 71.41 111.901 -177.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.415 HG22 ' HE3' ' A' ' 57' ' ' LYS . 87.9 mt -59.07 -48.65 86.02 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 C-N-CA 123.748 0.819 . . . . 74.1 110.458 174.178 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 40.1 t -66.93 -41.16 87.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 123.732 0.813 . . . . 72.14 110.228 -177.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -72.77 -26.68 61.63 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 111.94 0.348 . . . . 74.53 111.94 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -70.49 -49.25 50.37 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 122.944 0.497 . . . . 73.02 111.211 177.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.415 ' HE3' HG22 ' A' ' 53' ' ' ILE . 17.0 ptpt -66.94 -28.13 68.04 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.156 0.582 . . . . 73.24 112.274 178.049 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.34 -11.53 56.18 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 122.841 0.456 . . . . 71.33 111.219 171.285 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 59.24 27.94 17.12 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 124.671 1.188 . . . . 71.03 111.535 -177.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -79.49 89.83 5.06 Favored 'General case' 0 C--N 1.349 0.581 0 N-CA-C 108.095 -1.076 . . . . 73.25 108.095 174.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 55.8 p -60.96 -26.38 67.49 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 114.628 -1.169 . . . . 75.54 112.028 -175.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.461 ' O ' ' HG2' ' A' ' 66' ' ' ARG . 8.6 t70 -61.7 -61.92 2.17 Favored 'General case' 0 C--N 1.353 0.752 0 O-C-N 123.727 0.642 . . . . 73.21 110.716 178.058 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -69.48 -33.66 72.72 Favored Glycine 0 C--N 1.348 1.207 0 O-C-N 124.037 0.835 . . . . 54.52 112.616 -173.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 65.1 tp -61.91 -43.75 98.2 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.022 0.929 . . . . 75.0 110.02 174.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 21.5 ttt180 -71.7 -34.97 70.06 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 115.642 -0.708 . . . . 75.15 110.606 178.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.461 ' HG2' ' O ' ' A' ' 62' ' ' ASP . 30.6 mmt180 -60.31 -48.36 82.06 Favored 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 109.565 -0.532 . . . . 74.44 109.565 176.592 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' A' ' 48' ' ' PHE . . . -66.42 -44.43 82.94 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 114.915 -1.039 . . . . 74.22 111.491 -177.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.81 -40.53 91.97 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.758 0.823 . . . . 74.24 112.225 -179.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -72.28 -39.81 68.06 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.538 1.135 . . . . 74.01 109.68 -178.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 20.8 t -72.22 -30.3 64.78 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.644 0.778 . . . . 71.11 110.57 178.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.454 HD13 ' HA ' ' A' ' 91' ' ' ALA . 4.3 mt -60.72 -53.71 54.05 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.156 0.982 . . . . 73.44 111.097 177.508 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -58.45 -39.92 81.19 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 123.58 0.752 . . . . 74.15 111.419 -177.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -73.04 -32.2 64.91 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 115.846 -0.615 . . . . 74.33 110.758 177.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.524 ' O ' HG13 ' A' ' 78' ' ' ILE . . . -65.44 -31.81 73.1 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 116.283 -0.417 . . . . 75.53 110.496 175.383 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.426 HG12 ' O ' ' A' ' 71' ' ' LEU . 17.1 mm -66.29 -49.8 73.03 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 C-N-CA 123.233 0.613 . . . . 73.03 111.037 -177.091 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.0 t -67.68 -17.08 64.46 Favored 'General case' 0 CA--C 1.551 1.001 0 CA-C-N 116.019 -0.537 . . . . 74.42 110.767 176.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.39 -16.39 29.19 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.022 0.929 . . . . 75.42 112.428 177.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.524 HG13 ' O ' ' A' ' 74' ' ' ALA . 64.7 mt -67.29 115.44 26.15 Favored Pre-proline 0 N--CA 1.484 1.232 0 N-CA-C 108.847 -0.797 . . . . 75.34 108.847 176.424 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -71.4 -23.03 24.28 Favored 'Trans proline' 0 C--N 1.376 1.986 0 C-N-CA 122.624 2.216 . . . . 75.41 111.595 175.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -83.4 119.89 25.2 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.729 1.212 . . . . 71.23 109.153 -174.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -65.49 -51.56 59.13 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.212 0.605 . . . . 73.22 110.617 -176.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -67.04 -18.52 65.4 Favored 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 123.9 0.88 . . . . 74.31 110.985 176.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -74.09 -24.64 73.2 Favored Glycine 0 C--N 1.35 1.332 0 CA-C-N 116.234 -0.439 . . . . 65.53 113.44 175.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 90.4 mtm-85 -80.92 -17.97 48.74 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 122.666 0.387 . . . . 74.4 110.485 171.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 52.4 tttm -86.67 44.1 1.13 Allowed 'General case' 0 CA--C 1.558 1.251 0 C-N-CA 124.14 0.976 . . . . 72.03 110.184 177.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -173.46 -51.41 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.866 0.866 . . . . 61.54 109.873 -179.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.563 ' HA ' ' HE2' ' A' ' 90' ' ' MET . . . -77.08 -27.99 54.41 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.522 -0.763 . . . . 74.1 111.864 -172.029 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -69.86 -29.66 66.95 Favored 'General case' 0 CA--C 1.547 0.83 0 O-C-N 123.381 0.425 . . . . 55.04 110.51 178.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -66.87 -34.36 77.62 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.782 0.833 . . . . 70.33 110.534 174.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.563 ' HE2' ' HA ' ' A' ' 87' ' ' ALA . 50.2 mtm -74.8 -34.62 62.44 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.845 0.858 . . . . 73.22 110.438 176.194 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.454 ' HA ' HD13 ' A' ' 71' ' ' LEU . . . -61.17 -40.91 95.67 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 124.053 0.846 . . . . 74.43 110.514 174.665 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.466 ' O ' ' HG2' ' A' ' 96' ' ' GLU . 29.2 mmtp -71.81 -39.47 69.81 Favored 'General case' 0 C--O 1.216 -0.68 0 CA-C-N 115.064 -0.971 . . . . 73.13 111.21 176.693 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.3 mmtm -56.11 -49.76 72.96 Favored 'General case' 0 N--CA 1.494 1.728 0 C-N-CA 123.452 0.701 . . . . 72.55 111.31 178.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.468 ' HA ' ' CE3' ' A' ' 97' ' ' TRP . . . -67.7 -32.14 72.59 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.212 0.605 . . . . 75.53 111.792 179.341 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.24 -35.18 68.77 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 123.414 0.685 . . . . 71.33 109.866 178.222 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.466 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 13.2 mm-40 -70.43 -31.62 68.88 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.513 0.725 . . . . 73.44 110.234 178.375 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . 0.468 ' CE3' ' HA ' ' A' ' 94' ' ' ALA . 38.0 m0 -68.97 -38.13 79.2 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 123.698 0.624 . . . . 72.22 110.297 173.351 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 48.0 tp -64.0 -42.51 97.15 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 123.539 0.524 . . . . 75.52 110.155 176.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 -67.17 -29.88 69.7 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.568 0.747 . . . . 74.11 111.123 177.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.01 -42.57 84.73 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.372 0.669 . . . . 72.13 110.656 175.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -66.13 -48.23 71.52 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.561 0.744 . . . . 74.41 110.98 178.137 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -61.97 108.39 1.03 Allowed 'General case' 0 N--CA 1.475 0.793 0 O-C-N 123.896 0.748 . . . . 71.45 109.937 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -148.76 107.63 3.85 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.714 0.806 . . . . 71.04 109.111 -178.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 9.6 t30 . . . . . 0 CA--C 1.563 1.478 0 C-N-CA 125.058 1.343 . . . . 74.03 110.274 -179.413 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.427 ' HB2' ' SD ' ' A' ' 38' ' ' MET . . . . . . . . 0 N--CA 1.479 0.976 0 N-CA-C 109.263 -0.643 . . . . 71.33 109.263 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -135.03 66.52 1.52 Allowed 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 124.011 0.924 . . . . 70.33 111.11 -176.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -114.25 -55.46 2.49 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 108.053 -1.091 . . . . 73.54 108.053 171.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -68.97 -42.34 76.71 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.881 0.873 . . . . 73.23 109.923 177.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.706 HG22 HG22 ' A' ' 31' ' ' ILE . 68.7 mt -60.36 -47.0 94.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 125.086 1.354 . . . . 75.14 110.699 175.171 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.66 -34.53 71.33 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 124.033 0.833 . . . . 64.21 111.443 179.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -67.7 -41.62 83.31 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.736 0.814 . . . . 75.42 110.83 178.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -69.39 -36.37 76.7 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.012 0.525 . . . . 74.44 111.299 -178.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.436 ' HG2' HD12 ' A' ' 31' ' ' ILE . 49.6 mt-10 -72.67 -28.28 62.62 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.566 0.746 . . . . 74.32 110.962 177.001 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -73.68 -34.4 64.86 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.232 0.613 . . . . 73.01 110.196 174.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.73 -33.05 64.18 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.382 0.673 . . . . 73.22 111.044 178.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.472 ' HD2' ' HB2' ' A' ' 27' ' ' ALA . 3.6 t80 -83.2 123.03 29.16 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 108.676 -0.861 . . . . 74.34 108.676 178.229 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -80.12 -95.37 0.04 OUTLIER 'General case' 0 CA--C 1.553 1.061 0 N-CA-C 109.63 -0.507 . . . . 74.5 109.63 174.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -142.11 -32.34 0.51 Allowed 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 123.609 0.764 . . . . 72.21 110.012 176.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 79.35 -35.67 0.16 Allowed 'General case' 0 N--CA 1.495 1.795 0 C-N-CA 125.879 1.672 . . . . 60.25 112.935 177.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -74.23 -10.69 59.86 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.973 0.909 . . . . 73.12 112.744 179.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -56.25 -36.68 68.82 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 124.681 1.193 . . . . 73.43 111.59 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.8 tt -153.15 149.65 28.26 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 106.692 -1.596 . . . . 71.03 106.692 -178.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -67.73 87.58 0.23 Allowed 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.187 0.595 . . . . 72.55 110.328 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.2 pt20 -158.51 43.64 0.28 Allowed 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.984 0.913 . . . . 72.24 110.36 -176.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.81 -26.16 66.66 Favored Glycine 0 C--N 1.347 1.188 0 CA-C-N 114.843 -1.071 . . . . 73.54 114.347 -174.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -59.89 -20.01 54.74 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 124.794 1.238 . . . . 74.55 113.153 -176.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.3 mt -88.23 -34.32 17.8 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.553 0.741 . . . . 72.12 112.576 -175.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.407 ' HB3' ' CE2' ' A' ' 12' ' ' TYR . 3.8 mpp? -114.77 -26.47 7.81 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 113.52 0.933 . . . . 75.23 113.52 -171.353 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -50.34 -39.64 36.34 Favored Glycine 0 N--CA 1.483 1.828 0 N-CA-C 115.893 1.117 . . . . 71.1 115.893 -168.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 51.7 mtp180 -73.03 -27.16 61.61 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.167 0.587 . . . . 75.12 112.153 -179.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.472 ' HB2' ' HD2' ' A' ' 12' ' ' TYR . . . -59.28 -46.68 87.88 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 122.83 0.452 . . . . 74.42 110.887 -179.6 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.588 HD21 HD13 ' A' ' 31' ' ' ILE . 12.6 mt -60.22 -39.14 85.57 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 123.574 0.546 . . . . 74.21 111.262 175.666 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -59.54 -41.05 89.19 Favored 'General case' 0 CA--C 1.547 0.851 0 O-C-N 123.894 0.746 . . . . 74.4 110.632 177.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 62.1 m-80 -67.59 -34.97 78.09 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.017 0.527 . . . . 74.4 111.729 178.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.706 HG22 HG22 ' A' ' 5' ' ' ILE . 50.7 mt -67.24 -38.42 80.96 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.215 0 CA-C-O 121.442 0.639 . . . . 74.44 109.739 178.597 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.89 -46.92 92.58 Favored Glycine 0 C--N 1.349 1.263 0 CA-C-N 114.791 -1.095 . . . . 71.04 111.831 174.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 91.1 mt -57.62 -36.08 71.32 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.65 0.78 . . . . 75.12 111.581 179.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -62.42 -51.75 66.3 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.648 0.779 . . . . 70.41 111.791 178.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.459 ' HB3' ' HB2' ' A' ' 40' ' ' LYS . 89.5 mttt -71.33 -37.66 71.72 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 122.801 0.441 . . . . 75.33 111.602 -178.21 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -60.67 -41.4 94.99 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.969 0.907 . . . . 75.22 110.273 179.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 48.9 tttm -67.9 -29.59 68.72 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 125.3 1.44 . . . . 74.01 111.264 178.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.427 ' SD ' ' HB2' ' A' ' 1' ' ' ALA . 71.3 mtm -87.09 0.91 54.49 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 123.366 0.666 . . . . 71.43 111.804 174.76 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 92.3 -9.46 76.15 Favored Glycine 0 C--N 1.353 1.496 0 C-N-CA 123.048 0.356 . . . . 63.51 113.814 178.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.459 ' HB2' ' HB3' ' A' ' 35' ' ' LYS . 58.3 mttm -78.45 64.78 3.6 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.531 1.132 . . . . 75.42 109.72 176.639 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.11 -20.02 46.02 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.632 0.773 . . . . 73.41 112.389 -170.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? -69.41 -46.39 66.96 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 108.795 -0.816 . . . . 73.42 108.795 172.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -64.78 -41.38 95.88 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 114.532 -1.213 . . . . 74.05 110.61 178.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.18 -44.22 87.9 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 124.403 1.081 . . . . 75.44 111.513 176.132 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.62 -33.75 68.57 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 124.62 1.2 . . . . 74.42 111.944 -178.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -63.17 -47.36 82.98 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 124.003 0.921 . . . . 72.55 110.713 177.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.455 ' HE2' ' HD2' ' A' ' 35' ' ' LYS . 86.0 m-85 -69.88 -36.4 75.42 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 115.559 -0.746 . . . . 71.1 111.377 -178.136 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.48 ' HB2' ' HG ' ' A' ' 71' ' ' LEU . 20.4 m-85 -66.95 -34.12 77.06 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 123.892 0.745 . . . . 74.32 110.765 176.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -70.27 -51.98 26.39 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 123.701 0.626 . . . . 74.22 111.202 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.413 ' O ' HG22 ' A' ' 54' ' ' VAL . 99.5 mtt180 -62.55 -38.16 88.97 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 124.101 0.876 . . . . 74.53 110.368 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.2 -45.42 93.21 Favored 'General case' 0 C--N 1.354 0.775 0 O-C-N 123.796 0.685 . . . . 75.4 110.03 173.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.61 -36.0 81.36 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.733 0.813 . . . . 62.34 112.037 -178.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 98.0 mt -60.32 -41.99 89.14 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 C-N-CA 123.751 0.82 . . . . 72.22 110.118 174.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.418 HG21 ' OH ' ' A' ' 12' ' ' TYR . 49.5 t -73.65 -35.05 43.18 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 CA-C-N 115.234 -0.894 . . . . 74.15 110.777 -178.484 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -70.95 -28.56 64.56 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.247 0.619 . . . . 75.33 111.217 175.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.409 ' CD1' ' HB3' ' A' ' 97' ' ' TRP . 34.5 t80 -77.26 -47.51 19.94 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.31 0.644 . . . . 74.44 111.584 -178.308 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.607 ' HZ2' ' HB3' ' A' ' 57' ' ' LYS . 0.5 OUTLIER -61.0 -34.93 75.58 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.003 0.521 . . . . 74.42 112.325 176.934 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -84.27 -11.93 55.57 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 122.566 0.347 . . . . 74.12 110.817 175.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 63.81 33.85 12.39 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 125.534 1.534 . . . . 74.24 112.363 177.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -80.79 93.1 6.16 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 108.371 -0.974 . . . . 74.5 108.371 175.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.408 HG21 ' HB3' ' A' ' 101' ' ' GLU . 6.9 p -54.63 -39.47 67.97 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.156 0.982 . . . . 72.22 112.869 -178.376 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -62.25 -54.08 45.87 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.859 0.724 . . . . 75.45 111.087 -179.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -73.08 -34.54 58.36 Favored Glycine 0 C--N 1.342 0.887 0 O-C-N 124.265 0.978 . . . . 64.43 113.113 -173.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.506 HD22 ' HG3' ' A' ' 101' ' ' GLU . 51.4 tp -64.28 -45.54 87.57 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.282 0.633 . . . . 74.44 109.919 175.437 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.46 ' O ' ' HG2' ' A' ' 69' ' ' LYS . 43.3 ttt-85 -60.05 -41.94 93.4 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 124.19 0.931 . . . . 73.24 110.759 173.112 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.0 ttt180 -65.15 -42.09 94.12 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.517 1.127 . . . . 75.12 110.15 -174.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.523 ' O ' ' HB2' ' A' ' 71' ' ' LEU . . . -75.04 -34.39 61.85 Favored 'General case' 0 C--N 1.346 0.448 0 CA-C-N 114.493 -1.231 . . . . 74.22 110.727 178.093 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.8 -47.66 68.48 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.08 0.952 . . . . 73.11 112.058 -177.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.46 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 70.2 mmtt -68.1 -48.23 66.06 Favored 'General case' 0 C--O 1.22 -0.498 0 CA-C-N 115.303 -0.862 . . . . 75.32 109.99 179.706 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 13.6 t -63.71 -29.93 71.09 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.384 0.673 . . . . 53.02 111.333 -178.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.523 ' HB2' ' O ' ' A' ' 67' ' ' ALA . 0.9 OUTLIER -63.27 -51.9 64.26 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.959 0.904 . . . . 72.52 108.732 173.638 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.7 ttpp -66.07 -31.81 72.91 Favored 'General case' 0 CA--C 1.552 1.043 0 CA-C-N 114.611 -1.177 . . . . 75.42 111.397 -177.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.46 ' HG2' ' O ' ' A' ' 69' ' ' LYS . 23.9 mm-40 -74.67 -30.41 61.57 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.455 0.702 . . . . 71.03 109.845 176.346 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.424 ' O ' HG13 ' A' ' 78' ' ' ILE . . . -68.99 -34.54 75.47 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 116.068 -0.514 . . . . 61.44 110.209 174.334 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.416 HG12 ' O ' ' A' ' 71' ' ' LEU . 23.5 mm -62.92 -46.36 96.53 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 C-N-CA 123.032 0.533 . . . . 63.34 112.022 -176.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 14.7 t -71.16 -15.21 62.48 Favored 'General case' 0 CA--C 1.551 0.987 0 CA-C-N 115.798 -0.637 . . . . 64.43 111.211 179.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -100.89 0.26 38.12 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 124.113 0.965 . . . . 64.43 112.149 177.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 74' ' ' ALA . 62.8 mt -69.55 131.08 90.05 Favored Pre-proline 0 N--CA 1.486 1.333 0 C-N-CA 122.986 0.514 . . . . 75.34 109.902 176.673 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -56.81 115.39 2.45 Favored 'Trans proline' 0 C--N 1.371 1.72 0 C-N-CA 122.389 2.059 . . . . 74.4 110.77 163.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.573 ' HG3' ' HG3' ' A' ' 84' ' ' ARG . 34.1 tt0 -77.05 75.37 3.62 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-O 121.75 0.786 . . . . 75.4 112.007 -169.75 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -130.66 -53.42 1.07 Allowed 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 106.882 -1.525 . . . . 70.31 106.882 169.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -116.29 -178.82 3.5 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.371 1.069 . . . . 72.23 109.15 169.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 66.71 -135.18 32.86 Favored Glycine 0 C--N 1.349 1.304 0 CA-C-O 119.287 -0.73 . . . . 71.52 111.986 -175.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.573 ' HG3' ' HG3' ' A' ' 80' ' ' GLU . 18.5 mmt180 65.66 -65.73 0.17 Allowed 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 125.145 1.378 . . . . 70.51 113.616 170.442 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.572 ' HZ3' ' HB2' ' A' ' 85' ' ' LYS . 4.8 ttmp? -86.5 -54.68 4.27 Favored 'General case' 0 C--O 1.241 0.65 0 C-N-CA 123.753 0.821 . . . . 74.4 110.396 176.307 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.92 -38.8 61.7 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 115.118 -0.947 . . . . 73.15 111.303 -173.5 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.465 ' HA ' ' HE2' ' A' ' 90' ' ' MET . . . -71.46 -27.88 63.57 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.241 -0.436 . . . . 74.21 110.493 176.416 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.476 ' HB2' ' O ' ' A' ' 84' ' ' ARG . 77.5 tttt -72.84 -30.35 63.95 Favored 'General case' 0 C--O 1.214 -0.8 0 CA-C-N 116.314 -0.403 . . . . 73.55 110.807 177.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -53.75 -37.36 63.32 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.192 0.597 . . . . 70.42 110.238 174.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.465 ' HE2' ' HA ' ' A' ' 87' ' ' ALA . 49.3 mtm -67.57 -40.57 84.89 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 114.5 -1.227 . . . . 74.34 110.968 177.287 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.446 ' HA ' HD13 ' A' ' 71' ' ' LEU . . . -62.55 -44.09 97.21 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.294 0.637 . . . . 74.31 110.331 175.506 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.51 ' O ' ' HG2' ' A' ' 96' ' ' GLU . 83.3 mttt -60.31 -42.12 94.9 Favored 'General case' 0 C--N 1.352 0.708 0 O-C-N 124.353 1.033 . . . . 74.44 109.906 179.625 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 67.6 mmtt -57.99 -50.86 71.94 Favored 'General case' 0 N--CA 1.482 1.166 0 O-C-N 124.478 1.111 . . . . 73.22 111.014 178.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.64 -33.12 74.39 Favored 'General case' 0 CA--C 1.547 0.846 0 O-C-N 124.219 0.949 . . . . 73.41 111.435 -179.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -73.68 -38.19 65.0 Favored 'General case' 0 CA--C 1.55 0.97 0 CA-C-N 115.348 -0.842 . . . . 73.54 110.86 174.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.51 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 32.8 mm-40 -60.7 -47.19 87.38 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 123.78 0.832 . . . . 71.23 110.065 179.352 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . 0.522 ' O ' ' HG2' ' A' ' 101' ' ' GLU . 39.0 m0 -62.09 -44.32 96.91 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-N 114.023 -1.444 . . . . 71.54 110.119 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.414 ' O ' ' HG2' ' A' ' 102' ' ' GLN . 54.3 tp -59.24 -45.98 89.71 Favored 'General case' 0 CA--C 1.549 0.92 0 O-C-N 124.245 0.966 . . . . 73.42 111.875 179.37 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -61.25 -35.5 77.44 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 123.882 0.873 . . . . 71.33 110.929 177.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -75.06 -30.99 61.15 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 115.095 -0.957 . . . . 71.22 111.096 179.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.522 ' HG2' ' O ' ' A' ' 97' ' ' TRP . 16.9 mm-40 -71.41 -25.72 62.45 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.794 0.837 . . . . 73.34 111.074 176.388 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.414 ' HG2' ' O ' ' A' ' 98' ' ' LEU . 72.1 mm-40 -74.97 94.45 2.84 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 108.522 -0.918 . . . . 74.35 108.522 174.718 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -66.79 98.72 0.56 Allowed 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 109.228 -0.656 . . . . 73.52 109.228 179.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 6.9 t30 . . . . . 0 C--O 1.249 1.037 0 C-N-CA 124.306 1.042 . . . . 64.04 108.327 -177.858 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.134 0 N-CA-C 109.159 -0.682 . . . . 53.43 109.159 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.481 ' HB2' ' HE1' ' A' ' 38' ' ' MET . 11.8 t70 -112.04 11.6 20.52 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 124.174 0.99 . . . . 71.13 111.506 -170.448 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -71.66 -37.45 70.8 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.37 0.668 . . . . 75.05 110.33 -174.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 57.1 m-80 -81.28 -31.5 33.63 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 115.791 -0.64 . . . . 75.43 110.988 175.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.424 HD13 ' HB3' ' A' ' 34' ' ' GLU . 63.8 mt -69.96 -36.54 69.38 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.794 0 C-N-CA 123.617 0.767 . . . . 75.44 110.824 -177.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.05 -25.56 67.88 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 114.968 -1.015 . . . . 62.41 112.334 -177.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt -63.85 -36.32 83.52 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.096 0.558 . . . . 74.33 111.102 178.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -66.16 -26.03 67.23 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.14 0.576 . . . . 74.04 111.571 -178.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -63.72 -25.23 68.11 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.784 0.834 . . . . 74.54 112.133 -179.069 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -65.48 -34.12 77.54 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.353 0.661 . . . . 72.24 111.168 176.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.19 -20.45 64.17 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.194 0.597 . . . . 64.44 111.752 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.51 ' HD2' ' HB1' ' A' ' 27' ' ' ALA . 9.4 t80 -83.29 115.65 22.08 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 109.058 -0.719 . . . . 75.24 109.058 175.149 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -95.27 168.37 10.77 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.871 0.868 . . . . 74.43 109.403 172.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -45.29 -40.7 7.9 Favored 'General case' 0 N--CA 1.497 1.925 0 C-N-CA 124.848 1.259 . . . . 74.32 113.703 -164.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 75.76 -58.31 0.55 Allowed 'General case' 0 N--CA 1.495 1.821 0 C-N-CA 125.388 1.475 . . . . 73.31 113.82 168.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -68.52 -31.31 70.46 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.823 0.849 . . . . 74.5 110.462 -178.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -152.67 92.58 1.68 Allowed 'General case' 0 CA--C 1.557 1.237 0 CA-C-O 121.626 0.727 . . . . 73.12 111.287 179.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -158.22 4.33 0.11 Allowed 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.646 0.778 . . . . 74.42 109.682 173.568 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 61.03 22.19 12.47 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 123.968 0.907 . . . . 73.42 109.987 -165.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -137.69 96.42 3.23 Favored 'General case' 0 C--N 1.349 0.583 0 C-N-CA 124.681 1.192 . . . . 62.22 108.286 -177.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -108.09 -151.65 16.21 Favored Glycine 0 N--CA 1.474 1.173 0 N-CA-C 109.425 -1.47 . . . . 73.44 109.425 165.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 65.52 -65.93 0.16 Allowed 'General case' 0 N--CA 1.498 1.947 0 C-N-CA 125.03 1.332 . . . . 75.03 113.836 173.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 60.3 mt -47.32 -53.0 14.72 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.743 1.617 . . . . 72.25 112.053 179.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -77.07 -176.74 4.14 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.556 0.742 . . . . 73.14 112.042 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.8 -56.45 2.6 Favored Glycine 0 C--N 1.348 1.195 0 N-CA-C 110.18 -1.168 . . . . 64.15 110.18 -171.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.404 ' HA ' ' HZ ' ' A' ' 55' ' ' PHE . 39.7 ttm180 -57.69 -35.14 70.2 Favored 'General case' 0 C--N 1.35 0.615 0 C-N-CA 123.571 0.748 . . . . 74.43 111.051 178.062 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.51 ' HB1' ' HD2' ' A' ' 12' ' ' TYR . . . -61.44 -54.2 46.55 Favored 'General case' 0 C--N 1.354 0.782 0 O-C-N 123.809 0.693 . . . . 72.22 110.339 178.703 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.515 HD12 ' HB2' ' A' ' 50' ' ' ARG . 27.8 mt -58.07 -36.32 72.64 Favored 'General case' 0 C--N 1.359 0.998 0 O-C-N 123.315 0.384 . . . . 71.14 111.506 -178.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -61.04 -53.69 54.07 Favored 'General case' 0 CA--C 1.559 1.301 0 C-N-CA 123.295 0.638 . . . . 75.44 110.685 176.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -65.58 -43.61 89.22 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.337 0.655 . . . . 74.53 111.959 -174.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.484 HG22 ' HE2' ' A' ' 35' ' ' LYS . 20.2 mt -69.95 -35.75 65.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 123.8 0.84 . . . . 75.32 109.45 179.341 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -60.91 -38.29 95.16 Favored Glycine 0 C--N 1.351 1.388 0 CA-C-N 115.445 -0.798 . . . . 73.54 112.73 179.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.6 mt -59.14 -39.14 81.47 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.333 0.653 . . . . 72.31 110.722 174.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.424 ' HB3' HD13 ' A' ' 5' ' ' ILE . 30.3 mm-40 -66.67 -39.08 88.0 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.675 0.79 . . . . 73.05 111.864 -179.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.484 ' HE2' HG22 ' A' ' 31' ' ' ILE . 4.8 mptp? -62.06 -49.94 73.97 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.194 0.598 . . . . 74.53 109.89 173.052 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -58.21 -39.71 79.7 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 124.479 1.112 . . . . 74.52 110.851 -176.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.1 ttpp -58.56 -37.3 75.45 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.722 1.209 . . . . 64.4 112.463 179.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.481 ' HE1' ' HB2' ' A' ' 2' ' ' ASP . 54.1 mtm -84.18 -17.06 41.2 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 122.607 0.363 . . . . 64.45 111.871 -179.102 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 105.86 10.4 30.56 Favored Glycine 0 C--N 1.341 0.858 0 O-C-N 123.537 0.523 . . . . 73.43 112.88 -176.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -83.66 57.03 3.87 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 108.165 -1.05 . . . . 63.13 108.165 171.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.454 ' HB1' ' O ' ' A' ' 74' ' ' ALA . . . -74.0 -27.92 61.2 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.635 0.774 . . . . 74.13 111.789 -169.348 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.419 HH11 ' HB3' ' A' ' 87' ' ' ALA . 27.4 tpt180 -64.83 -52.47 56.55 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.678 0.791 . . . . 75.43 109.907 172.025 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -66.15 -32.26 73.6 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.058 -0.974 . . . . 75.31 110.855 -178.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.7 -44.86 76.71 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 123.585 0.754 . . . . 62.31 110.594 178.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.23 -36.58 78.04 Favored 'General case' 0 C--N 1.349 0.576 0 O-C-N 124.28 0.988 . . . . 73.11 111.092 -179.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -57.55 -49.34 76.69 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.681 0.793 . . . . 72.02 110.516 173.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.468 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 3.5 m-85 -61.46 -45.87 92.43 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 115.093 -0.958 . . . . 74.23 111.519 -178.487 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.502 ' HB2' ' HG ' ' A' ' 71' ' ' LEU . 27.3 m-85 -66.04 -31.53 72.47 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 122.955 0.502 . . . . 73.14 111.653 -179.167 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -71.67 -52.15 19.36 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.486 0.714 . . . . 74.31 111.109 -179.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.515 ' HB2' HD12 ' A' ' 28' ' ' LEU . 44.9 mtt180 -67.34 -30.83 70.75 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 115.335 -0.848 . . . . 72.34 110.155 -178.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.48 -48.3 80.22 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 115.266 -0.879 . . . . 73.04 109.667 171.281 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.57 -30.93 71.97 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 124.432 1.083 . . . . 65.13 111.832 -178.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 80.2 mt -60.91 -44.42 97.86 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 C-N-CA 123.535 0.734 . . . . 73.53 110.53 173.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 47.5 t -70.03 -43.44 79.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 123.062 0.545 . . . . 74.02 110.074 178.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.404 ' HZ ' ' HA ' ' A' ' 26' ' ' ARG . 26.0 m-85 -64.1 -28.54 69.85 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.098 0.559 . . . . 75.03 111.632 179.24 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -72.45 -53.99 10.58 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.272 0.629 . . . . 62.14 111.0 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -66.25 -32.0 73.16 Favored 'General case' 0 N--CA 1.484 1.263 0 CA-C-N 116.308 -0.406 . . . . 71.14 111.509 179.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -86.36 -2.12 58.14 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 122.883 0.473 . . . . 74.41 111.099 175.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 57.68 27.07 13.76 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 124.735 1.214 . . . . 75.11 112.298 173.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -81.98 83.43 7.26 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.91 1.284 . . . . 65.13 108.488 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.67 HG21 ' HB3' ' A' ' 101' ' ' GLU . 25.7 p -55.64 -35.74 66.25 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.794 1.238 . . . . 71.41 112.414 -179.119 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -56.47 -54.39 46.25 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.753 1.221 . . . . 72.14 111.251 179.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -76.03 -39.09 33.57 Favored Glycine 0 C--N 1.344 1.004 0 CA-C-N 115.234 -0.894 . . . . 70.32 112.708 -177.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 44.2 tp -61.93 -41.86 98.43 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.478 0.711 . . . . 74.12 110.982 -178.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -65.94 -45.73 80.79 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.892 0.877 . . . . 73.3 110.531 -178.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -74.58 -30.09 61.58 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 114.93 -1.032 . . . . 73.34 110.866 -176.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.427 ' O ' ' HB2' ' A' ' 71' ' ' LEU . . . -75.23 -32.17 61.05 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.378 0.671 . . . . 60.24 110.467 176.006 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.65 -40.79 84.52 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.709 0.804 . . . . 74.3 110.324 175.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 23.4 mmmt -58.36 -53.22 60.8 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 114.599 -1.182 . . . . 75.55 110.904 172.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 62.4 m -68.09 -29.51 68.47 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.124 0.569 . . . . 73.41 112.142 -177.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.502 ' HG ' ' HB2' ' A' ' 48' ' ' PHE . 0.6 OUTLIER -63.68 -54.97 27.26 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.652 0.781 . . . . 64.21 109.555 -178.379 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -68.66 -35.21 76.94 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 115.87 -0.605 . . . . 74.42 112.149 -175.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -75.49 -23.74 56.81 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.274 0.63 . . . . 74.4 111.259 -178.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.454 ' O ' ' HB1' ' A' ' 41' ' ' ALA . . . -75.06 -35.91 61.82 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 122.69 0.396 . . . . 65.22 110.499 170.391 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.719 HD12 ' HA ' ' A' ' 88' ' ' LYS . 81.7 mt -71.47 -38.0 66.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 123.33 0.652 . . . . 74.52 112.076 -178.646 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 41.2 p -69.39 -16.81 63.59 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 116.533 -0.303 . . . . 73.54 110.843 174.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -85.68 -20.43 29.41 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.291 0.636 . . . . 72.42 111.435 173.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 28.2 mt -73.42 126.28 90.1 Favored Pre-proline 0 N--CA 1.482 1.171 0 N-CA-C 107.767 -1.197 . . . . 73.14 107.767 170.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_endo -61.26 -73.56 0.02 OUTLIER 'Trans proline' 0 C--N 1.375 1.941 0 C-N-CA 122.149 1.899 . . . . 64.21 112.786 176.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -139.69 -48.51 0.47 Allowed 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.341 0.656 . . . . 75.05 110.305 -176.286 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -64.4 113.91 3.96 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.573 0.749 . . . . 73.04 112.193 -170.221 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 57.96 25.37 12.12 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.885 1.274 . . . . 75.23 112.309 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -142.23 -169.93 12.38 Favored Glycine 0 C--O 1.244 0.724 0 N-CA-C 109.707 -1.357 . . . . 53.33 109.707 172.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 66.47 -4.89 0.66 Allowed 'General case' 0 CA--C 1.572 1.824 0 C-N-CA 123.719 0.808 . . . . 72.12 112.325 176.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -170.36 -59.43 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.423 1.489 . . . . 74.22 108.18 -172.015 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -63.45 -71.54 0.17 Allowed 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.947 0.899 . . . . 64.22 111.774 -174.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.419 ' HB3' HH11 ' A' ' 42' ' ' ARG . . . -66.33 -24.34 66.51 Favored 'General case' 0 C--N 1.353 0.748 0 C-N-CA 122.816 0.447 . . . . 71.43 111.341 175.185 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.719 ' HA ' HD12 ' A' ' 75' ' ' ILE . 14.1 tmtt? -59.27 -33.61 71.26 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.42 1.088 . . . . 75.24 112.314 -172.226 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -61.21 -31.7 71.47 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.914 0.885 . . . . 73.44 111.74 178.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 50.0 mtm -65.07 -33.53 76.27 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.347 0.659 . . . . 72.1 111.931 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.522 ' HB1' HD13 ' A' ' 75' ' ' ILE . . . -58.02 -48.05 81.21 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 123.52 0.512 . . . . 73.32 110.327 173.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.453 ' O ' ' HG2' ' A' ' 96' ' ' GLU . 86.9 tttt -58.59 -43.2 89.43 Favored 'General case' 0 C--N 1.355 0.84 0 O-C-N 124.221 0.95 . . . . 74.43 110.776 176.762 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt -56.08 -51.54 67.49 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 124.276 0.985 . . . . 74.22 111.504 -178.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.62 -31.93 72.87 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 123.882 0.739 . . . . 75.32 111.944 -178.069 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -75.92 -37.35 58.84 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.804 0.842 . . . . 73.34 111.287 178.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.453 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 52.6 mm-40 -63.18 -41.55 99.24 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-O 121.461 0.648 . . . . 73.5 109.662 177.263 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 50.4 m0 -64.78 -42.23 95.25 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 114.256 -1.338 . . . . 64.55 110.487 175.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 42.3 tp -63.05 -31.46 72.61 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 124.218 0.949 . . . . 64.13 111.498 -178.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -67.15 -49.06 66.12 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 122.906 0.482 . . . . 72.32 110.259 174.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.39 64.18 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.26 0.624 . . . . 73.34 111.868 179.095 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.67 ' HB3' HG21 ' A' ' 61' ' ' THR . 76.2 mm-40 -84.22 -39.18 19.63 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 115.349 -0.841 . . . . 74.52 112.068 177.573 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -149.5 113.25 5.07 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 122.929 0.492 . . . . 75.1 110.089 -178.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 62.42 79.0 0.27 Allowed 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 124.779 1.232 . . . . 75.14 111.978 178.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.49 1.542 0 C-N-CA 124.085 0.954 . . . . 62.33 110.792 178.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.338 0 N-CA-C 112.482 0.549 . . . . 75.14 112.482 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -82.48 5.38 20.82 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 112.257 0.466 . . . . 74.52 112.257 -174.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -55.58 -35.42 65.76 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 124.252 1.021 . . . . 74.45 110.17 173.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -64.18 -41.68 97.01 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.844 0.858 . . . . 74.43 111.641 177.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 63.4 mt -65.98 -47.42 85.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 124.065 0.946 . . . . 74.52 109.867 177.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.07 -28.45 69.47 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 114.555 -1.202 . . . . 71.12 111.672 -179.254 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.21 -48.3 82.15 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.952 0.901 . . . . 73.24 109.928 173.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -62.54 -47.4 84.06 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 114.921 -1.036 . . . . 73.34 110.495 -178.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -62.32 -32.93 73.76 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 124.086 0.955 . . . . 72.32 111.888 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.0 tptp -77.0 -30.53 55.93 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.646 0.778 . . . . 70.43 110.722 179.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.58 -6.5 40.16 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.66 0.784 . . . . 72.13 111.821 -179.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.668 ' HE1' ' HB3' ' A' ' 24' ' ' MET . 71.1 t80 -119.66 123.27 43.43 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.689 0.796 . . . . 75.31 110.795 -179.358 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -144.88 -167.65 2.72 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 124.717 1.207 . . . . 75.54 109.635 172.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp 75.88 -66.0 0.29 Allowed 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 126.06 1.744 . . . . 73.25 113.409 168.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.41 121.25 13.9 Favored 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 123.306 0.642 . . . . 74.13 111.804 -176.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.9 tt0 -170.89 -60.86 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 106.875 -1.528 . . . . 73.44 106.875 176.178 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -131.67 -24.78 2.18 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 114.39 -1.277 . . . . 75.53 109.875 176.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.4 tt -59.96 133.02 55.7 Favored 'General case' 0 N--CA 1.482 1.147 0 N-CA-C 108.453 -0.943 . . . . 75.0 108.453 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 63.0 m-20 -72.68 77.61 1.1 Allowed 'General case' 0 CA--C 1.548 0.871 0 O-C-N 124.147 0.904 . . . . 74.32 111.159 -174.053 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -167.59 96.46 0.46 Allowed 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.128 1.371 . . . . 74.15 109.286 176.157 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -127.17 -164.19 11.62 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.864 -0.894 . . . . 73.31 110.864 172.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 56.65 29.34 15.55 Favored 'General case' 0 N--CA 1.499 1.989 0 CA-C-O 122.854 1.311 . . . . 74.43 109.453 -173.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.9 mt -145.71 -48.17 0.22 Allowed 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 105.65 -1.982 . . . . 74.0 105.65 -178.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.668 ' HB3' ' HE1' ' A' ' 12' ' ' TYR . 28.4 mtm -128.97 173.88 10.02 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 112.71 -2.041 . . . . 75.33 109.09 -176.034 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.17 -37.09 3.66 Favored Glycine 0 N--CA 1.473 1.101 0 N-CA-C 111.796 -0.522 . . . . 72.3 111.796 178.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.446 ' HA ' ' HZ ' ' A' ' 55' ' ' PHE . 73.8 ttt180 -68.13 -38.0 81.73 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.552 0.741 . . . . 64.34 109.496 174.103 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.404 ' O ' HG13 ' A' ' 31' ' ' ILE . . . -59.64 -43.19 93.95 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-N 115.369 -0.832 . . . . 74.3 111.101 173.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.409 ' HG ' ' CE2' ' A' ' 12' ' ' TYR . 0.8 OUTLIER -58.28 -41.8 85.16 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 124.487 1.115 . . . . 74.54 110.462 -178.654 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -57.83 -41.62 82.66 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 114.999 -1.0 . . . . 74.13 111.401 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.405 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 40.5 m-80 -67.03 -40.07 87.15 Favored 'General case' 0 N--CA 1.484 1.267 0 O-C-N 123.171 0.295 . . . . 72.21 111.208 177.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.404 HG13 ' O ' ' A' ' 27' ' ' ALA . 51.2 mt -57.21 -45.98 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 C-N-CA 123.474 0.71 . . . . 73.11 110.301 179.421 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.63 -40.71 98.91 Favored Glycine 0 C--N 1.345 1.046 0 CA-C-N 114.292 -1.322 . . . . 55.22 112.811 179.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.2 mt -57.45 -51.29 70.04 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.233 0.613 . . . . 73.42 110.184 178.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 30' ' ' ASN . 23.0 mm-40 -64.2 -36.54 84.4 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 124.069 0.855 . . . . 75.34 111.65 -176.314 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -64.87 -48.04 75.71 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.07 0.548 . . . . 74.41 111.421 175.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -60.48 -32.96 71.92 Favored 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 123.413 0.685 . . . . 75.45 111.092 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -69.34 -26.07 64.51 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.125 0.97 . . . . 65.5 112.187 178.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 27.7 mtm -90.68 -14.9 31.33 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 122.678 0.391 . . . . 71.44 111.446 176.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 105.01 7.81 37.61 Favored Glycine 0 C--N 1.345 1.053 0 CA-C-N 116.614 -0.266 . . . . 72.4 113.165 -176.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.9 mmpt? -90.59 45.88 1.29 Allowed 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.95 0.9 . . . . 72.32 109.588 176.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.43 -23.66 65.56 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.354 1.061 . . . . 74.15 111.93 -176.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.5 tpt85 -62.06 -50.42 72.05 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.796 0.838 . . . . 74.13 110.36 174.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -62.83 -47.27 84.14 Favored 'General case' 0 C--N 1.35 0.623 0 O-C-N 123.776 0.672 . . . . 75.15 109.362 174.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.64 -37.43 68.2 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.012 -0.995 . . . . 75.35 112.148 -176.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.17 -48.39 80.27 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 123.441 0.463 . . . . 75.45 111.012 178.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -58.47 -34.24 70.67 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.851 0.86 . . . . 72.15 110.964 175.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 3.1 m-30 -76.6 -37.95 55.59 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.504 1.122 . . . . 74.02 112.24 -174.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -76.26 -25.19 54.7 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 122.26 0.224 . . . . 74.4 110.623 176.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.44 ' CD1' ' HB3' ' A' ' 90' ' ' MET . 65.4 t80 -68.29 -51.36 45.8 Favored 'General case' 0 CA--C 1.537 0.466 0 O-C-N 123.699 0.625 . . . . 72.44 110.087 174.04 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.402 ' O ' HG23 ' A' ' 54' ' ' VAL . 57.3 mtt180 -59.6 -45.43 91.94 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 115.379 -0.828 . . . . 74.43 110.966 176.74 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.08 -44.88 91.94 Favored 'General case' 0 C--N 1.356 0.858 0 O-C-N 123.518 0.511 . . . . 72.34 110.026 177.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.51 -38.66 78.16 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 123.993 0.808 . . . . 63.41 111.679 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 74.2 mt -64.54 -44.73 96.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 O-C-N 123.439 0.462 . . . . 73.31 110.9 176.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 50' ' ' ARG . 61.4 t -63.05 -45.9 97.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 C-N-CA 122.991 0.516 . . . . 70.33 111.012 -177.391 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.446 ' HZ ' ' HA ' ' A' ' 26' ' ' ARG . 46.7 m-85 -65.71 -46.3 79.46 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.074 0.549 . . . . 74.42 110.863 178.466 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -58.92 -37.7 77.27 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.815 0.846 . . . . 75.13 112.005 176.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 46.0 tptt -67.35 -31.96 72.58 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 124.18 0.992 . . . . 73.21 110.903 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -88.07 -9.15 54.24 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.517 0.727 . . . . 74.5 111.446 172.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 68.13 22.91 8.15 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.886 1.274 . . . . 75.11 111.753 -178.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -79.27 95.95 5.81 Favored 'General case' 0 C--O 1.241 0.609 0 N-CA-C 108.453 -0.943 . . . . 61.44 108.453 177.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.604 HG21 ' HB3' ' A' ' 101' ' ' GLU . 28.7 p -61.38 -38.27 86.42 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 114.526 -1.215 . . . . 72.5 112.672 -172.408 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -71.72 -38.34 70.51 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 123.488 0.492 . . . . 75.24 111.337 -173.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -69.38 -44.21 66.17 Favored Glycine 0 C--N 1.339 0.7 0 N-CA-C 111.668 -0.573 . . . . 53.0 111.668 177.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 55.7 tp -59.39 -37.8 78.89 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.135 0.974 . . . . 75.12 110.604 175.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -65.81 -43.72 87.78 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.084 1.354 . . . . 75.33 110.782 178.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -66.87 -42.38 85.74 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.237 -0.892 . . . . 73.13 110.659 178.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -72.26 -30.58 64.99 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.02 0.928 . . . . 64.25 111.273 -177.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.04 -49.11 48.38 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.813 0.845 . . . . 64.34 111.826 -178.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -67.0 -42.45 84.98 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 115.482 -0.781 . . . . 75.32 110.829 174.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.3 t -65.79 -28.77 69.26 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 122.625 0.37 . . . . 73.04 111.175 -178.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.16 -53.81 54.06 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.642 0.777 . . . . 73.44 109.315 177.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.478 ' HA ' HD12 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -70.59 -27.07 63.83 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 116.247 -0.433 . . . . 74.44 111.994 -179.645 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -65.06 -33.85 77.02 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.467 0.707 . . . . 74.34 111.285 173.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.11 -47.16 62.97 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 109.732 -0.47 . . . . 73.32 109.732 171.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.691 HD11 ' HA ' ' A' ' 88' ' ' LYS . 78.3 mt -60.57 -44.56 96.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 124.191 0.996 . . . . 73.22 113.58 -174.803 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 14.6 t -69.75 -19.33 63.53 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 116.325 -0.398 . . . . 75.45 110.371 179.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -96.17 -11.37 26.27 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 123.99 0.916 . . . . 74.33 112.234 177.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 69.4 mt -64.55 133.06 95.57 Favored Pre-proline 0 N--CA 1.488 1.436 0 N-CA-C 108.786 -0.82 . . . . 71.44 108.786 174.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -66.25 -162.43 0.06 OUTLIER 'Trans proline' 0 C--N 1.379 2.15 0 C-N-CA 122.454 2.103 . . . . 75.52 111.873 172.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -58.97 -47.44 85.13 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.378 0.671 . . . . 71.31 110.866 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 59.74 -170.28 0.14 Allowed 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.297 1.039 . . . . 73.4 113.299 167.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -109.88 -39.04 5.19 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.526 1.13 . . . . 72.03 109.109 169.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -110.84 45.78 1.27 Allowed Glycine 0 C--N 1.351 1.415 0 CA-C-N 116.05 -0.523 . . . . 74.11 113.413 -175.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.06 -47.55 28.29 Favored 'General case' 0 CA--C 1.553 1.073 0 CA-C-O 121.191 0.519 . . . . 75.11 109.917 -179.174 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -69.6 -42.26 74.64 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.704 1.202 . . . . 72.22 112.269 -173.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -66.72 -36.94 83.67 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 122.906 0.482 . . . . 72.22 110.653 179.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.511 ' HA ' ' HE2' ' A' ' 90' ' ' MET . . . -67.13 -39.58 86.62 Favored 'General case' 0 C--N 1.348 0.503 0 CA-C-N 115.698 -0.683 . . . . 74.31 110.623 175.64 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.691 ' HA ' HD11 ' A' ' 75' ' ' ILE . 11.1 tmtt? -61.84 -37.16 83.44 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 123.968 0.907 . . . . 75.45 110.131 178.672 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -67.12 -29.97 69.85 Favored 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 124.485 1.114 . . . . 64.33 111.018 -178.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.511 ' HE2' ' HA ' ' A' ' 87' ' ' ALA . 41.6 mtm -67.73 -32.72 73.54 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.722 0.809 . . . . 71.41 112.926 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -53.7 -33.37 55.28 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.049 0.54 . . . . 75.43 111.709 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.44 -39.55 92.19 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.357 0.663 . . . . 72.12 110.907 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.412 ' HB2' ' HE1' ' A' ' 49' ' ' PHE . 28.5 mmtp -59.7 -52.29 66.13 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 123.651 0.595 . . . . 74.14 111.381 -178.525 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.412 ' HA ' ' CE3' ' A' ' 97' ' ' TRP . . . -60.68 -32.24 71.46 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 124.155 0.909 . . . . 74.34 111.837 -177.581 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.459 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 8.1 mm-40 -75.96 -39.89 55.08 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.808 0.843 . . . . 74.22 111.927 176.508 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -68.83 -35.17 76.64 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 122.849 0.459 . . . . 73.53 110.84 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . 0.412 ' CE3' ' HA ' ' A' ' 94' ' ' ALA . 41.4 m0 -61.9 -46.56 88.86 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.148 -0.933 . . . . 71.21 109.2 172.19 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 32.5 tp -63.24 -37.85 88.86 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 123.723 0.809 . . . . 65.34 111.82 -178.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.459 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 12.0 mm100 -68.95 -39.82 79.28 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 122.998 0.519 . . . . 74.05 110.849 179.064 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.92 -28.2 61.41 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 115.875 -0.602 . . . . 60.31 111.147 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.604 ' HB3' HG21 ' A' ' 61' ' ' THR . 71.5 mm-40 -71.92 -43.58 65.05 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.466 0.706 . . . . 73.25 110.974 175.319 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -89.54 87.76 7.17 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.145 0.578 . . . . 55.31 110.167 -175.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 16.9 m-80 -94.26 169.61 10.11 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 124.806 1.243 . . . . 74.51 111.406 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.554 1.128 0 N-CA-C 108.069 -1.086 . . . . 74.32 108.069 177.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.143 0 N-CA-C 109.188 -0.671 . . . . 72.24 109.188 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.628 ' HB2' HD13 ' A' ' 5' ' ' ILE . 4.4 p-10 -161.75 39.75 0.13 Allowed 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.793 0.837 . . . . 73.43 110.753 -175.502 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -67.2 -29.65 69.37 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.543 0.737 . . . . 74.34 110.817 178.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -63.47 -31.43 72.59 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.955 0.902 . . . . 70.42 110.881 178.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.685 HG21 HG22 ' A' ' 31' ' ' ILE . 73.3 mt -69.99 -51.31 40.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 CA-C-N 114.938 -1.028 . . . . 75.14 109.919 174.775 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.85 -25.96 61.42 Favored 'General case' 0 N--CA 1.484 1.258 0 O-C-N 124.178 0.924 . . . . 75.12 111.675 176.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -70.97 -45.71 63.62 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 125.084 1.354 . . . . 75.14 110.265 176.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -72.97 -24.64 60.81 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.21 0.604 . . . . 74.31 111.342 178.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -61.09 -37.48 82.88 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.762 0.825 . . . . 63.14 110.401 174.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -65.38 -26.08 67.85 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.664 0.786 . . . . 75.01 111.129 177.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.8 -10.97 59.18 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.641 0.776 . . . . 55.34 111.695 -179.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.613 ' HD2' ' HB2' ' A' ' 27' ' ' ALA . 2.6 t80 -113.99 137.95 51.02 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.043 0.537 . . . . 75.31 109.603 -178.257 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -140.72 55.9 1.58 Allowed 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.55 0.74 . . . . 72.44 111.057 -177.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.8 mtmm 47.49 99.44 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.009 0 C-N-CA 125.384 1.473 . . . . 74.03 113.704 176.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.733 ' HB3' ' HA2' ' A' ' 21' ' ' GLY . . . -80.59 75.21 7.48 Favored 'General case' 0 C--O 1.248 0.996 0 C-N-CA 123.985 0.914 . . . . 72.42 113.406 -166.142 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -176.82 -20.35 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.263 1.025 . . . . 75.24 110.828 176.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -62.21 -51.59 67.16 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.662 0.785 . . . . 74.22 111.009 -179.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 82.6 mt -88.09 9.0 24.1 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 115.207 -0.906 . . . . 71.05 111.343 179.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 58.44 29.52 18.39 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 125.062 1.345 . . . . 63.43 111.178 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -135.01 87.74 2.36 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.754 1.222 . . . . 72.53 109.528 -176.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.733 ' HA2' ' HB3' ' A' ' 15' ' ' ALA . . . -85.1 -17.38 63.02 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 112.142 -0.383 . . . . 51.44 112.142 174.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -54.57 -37.28 65.31 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 124.44 1.096 . . . . 72.41 111.41 176.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 77.1 mt -74.62 -18.39 60.56 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.622 0.769 . . . . 73.54 111.991 -177.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 26.7 mtm -131.01 -154.44 0.63 Allowed 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.157 0.983 . . . . 75.03 109.838 -174.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.76 -60.02 4.8 Favored Glycine 0 C--N 1.347 1.153 0 C-N-CA 123.498 0.57 . . . . 70.41 111.897 -170.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.41 ' O ' ' HB3' ' A' ' 29' ' ' TYR . 29.9 ttt85 -61.21 -31.45 71.22 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.033 1.333 . . . . 74.22 111.537 -177.203 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.613 ' HB2' ' HD2' ' A' ' 12' ' ' TYR . . . -66.34 -46.57 76.37 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 118.42 -0.8 . . . . 73.11 110.67 179.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.609 ' HG ' ' CE2' ' A' ' 12' ' ' TYR . 20.5 mt -59.73 -32.09 70.22 Favored 'General case' 0 N--CA 1.499 1.975 0 CA-C-N 118.416 0.553 . . . . 72.22 110.997 173.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.41 ' HB3' ' O ' ' A' ' 26' ' ' ARG . 74.0 t80 -62.54 -48.28 80.21 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 123.346 0.658 . . . . 72.43 110.273 176.651 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 -64.96 -37.37 87.41 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 123.216 0.606 . . . . 72.11 111.349 179.082 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.685 HG22 HG21 ' A' ' 5' ' ' ILE . 90.1 mt -64.72 -43.37 96.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 123.704 0.802 . . . . 72.31 109.664 177.024 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.36 -38.53 96.43 Favored Glycine 0 C--N 1.345 1.049 0 O-C-N 123.907 0.754 . . . . 64.44 112.07 178.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 89.6 mt -57.57 -42.23 82.68 Favored 'General case' 0 C--N 1.357 0.893 0 C-N-CA 123.361 0.664 . . . . 64.5 110.34 177.08 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -57.86 -48.36 80.02 Favored 'General case' 0 N--CA 1.478 0.972 0 O-C-N 123.931 0.769 . . . . 74.25 111.054 177.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.522 ' HE3' ' CE2' ' A' ' 47' ' ' TYR . 5.0 mptp? -59.68 -49.78 76.42 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.226 0.61 . . . . 73.01 110.489 178.557 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -59.47 -43.34 93.25 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.228 1.011 . . . . 71.15 110.973 -173.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -69.51 -27.38 65.13 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.922 0.889 . . . . 74.42 111.908 -178.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.41 ' HE3' ' HD2' ' A' ' 40' ' ' LYS . 76.5 mtm -89.98 -11.13 42.55 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.08 0.552 . . . . 64.41 111.849 178.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 95.58 4.23 60.77 Favored Glycine 0 N--CA 1.471 1.023 0 O-C-N 122.881 0.113 . . . . 64.32 113.067 -179.182 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.41 ' HD2' ' HE3' ' A' ' 38' ' ' MET . 61.9 mttm -85.57 38.94 0.76 Allowed 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 124.247 1.019 . . . . 75.24 109.852 175.4 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.97 -15.77 63.09 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.212 1.005 . . . . 43.41 113.187 -164.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.425 ' HB2' HG21 ' A' ' 78' ' ' ILE . 8.6 tpt180 -64.58 -46.28 83.41 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 122.848 0.459 . . . . 71.43 109.94 173.566 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -69.43 -39.55 77.77 Favored 'General case' 0 C--N 1.345 0.404 0 CA-C-N 115.97 -0.559 . . . . 74.14 109.694 176.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.34 -44.17 68.26 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.955 0.902 . . . . 73.44 111.15 178.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.3 -39.52 79.57 Favored 'General case' 0 C--N 1.349 0.579 0 O-C-N 124.557 1.16 . . . . 74.52 110.953 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -63.31 -44.53 94.7 Favored 'General case' 0 C--N 1.362 1.135 0 C-N-CA 123.783 0.833 . . . . 73.31 110.728 176.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.522 ' CE2' ' HE3' ' A' ' 35' ' ' LYS . 65.9 m-85 -66.2 -43.12 87.7 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.588 0.755 . . . . 72.32 111.774 -178.045 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.412 ' HB2' ' HG ' ' A' ' 71' ' ' LEU . 25.9 m-85 -67.83 -31.56 71.5 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 123.877 0.736 . . . . 74.02 110.704 177.723 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.435 ' O ' HG13 ' A' ' 53' ' ' ILE . 36.5 t80 -68.18 -52.7 31.52 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.034 0.934 . . . . 73.22 110.575 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 68.7 mtt180 -67.49 -35.23 78.75 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.617 0.767 . . . . 74.34 110.335 -178.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.91 -45.22 93.25 Favored 'General case' 0 C--N 1.353 0.757 0 O-C-N 124.284 0.99 . . . . 72.21 109.727 172.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.43 -35.67 81.66 Favored 'General case' 0 C--N 1.355 0.82 0 O-C-N 124.151 0.907 . . . . 65.24 111.642 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.435 HG13 ' O ' ' A' ' 49' ' ' PHE . 83.0 mt -62.3 -42.13 94.23 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.278 0 C-N-CA 123.569 0.747 . . . . 74.51 110.167 176.093 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.441 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 79.9 t -67.84 -48.78 74.12 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.759 0 C-N-CA 123.35 0.66 . . . . 74.4 110.258 178.61 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -59.3 -32.63 70.22 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.262 0.625 . . . . 73.34 111.639 178.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -72.71 -52.65 14.32 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.365 0.666 . . . . 75.44 111.244 -178.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.432 ' HE3' HG21 ' A' ' 53' ' ' ILE . 19.2 ptpt -65.62 -29.21 69.77 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.181 0.592 . . . . 75.51 112.316 -179.531 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 54' ' ' VAL . 10.5 mm-40 -85.15 -11.12 55.8 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 122.88 0.472 . . . . 72.24 110.87 174.637 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 65.78 29.94 10.37 Favored 'General case' 0 C--N 1.356 0.848 0 C-N-CA 125.004 1.321 . . . . 64.22 112.335 176.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -84.69 85.71 7.41 Favored 'General case' 0 C--O 1.244 0.774 0 N-CA-C 107.536 -1.283 . . . . 73.25 107.536 169.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.422 ' O ' ' HG3' ' A' ' 65' ' ' ARG . 35.7 m -61.53 -43.62 98.54 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.347 1.059 . . . . 75.11 112.033 -174.145 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -63.97 -39.49 94.24 Favored 'General case' 0 N--CA 1.484 1.258 0 O-C-N 123.702 0.626 . . . . 75.42 111.096 -175.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -68.11 -37.34 87.07 Favored Glycine 0 C--N 1.341 0.813 0 CA-C-N 116.033 -0.531 . . . . 51.32 112.035 175.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 44.3 tp -63.44 -35.22 79.7 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.808 0.843 . . . . 75.4 110.302 175.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.512 ' HG2' HD13 ' A' ' 98' ' ' LEU . 60.8 mtp180 -64.17 -46.84 82.21 Favored 'General case' 0 C--N 1.362 1.109 0 C-N-CA 123.477 0.711 . . . . 74.14 110.017 176.627 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 23.4 ttt-85 -70.44 -34.39 72.42 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 124.378 1.049 . . . . 73.23 110.257 -175.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.451 ' O ' ' HB2' ' A' ' 71' ' ' LEU . . . -74.73 -37.67 62.47 Favored 'General case' 0 C--N 1.351 0.659 0 C-N-CA 123.847 0.859 . . . . 71.1 110.639 179.348 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.85 -43.51 75.3 Favored 'General case' 0 C--N 1.356 0.855 0 O-C-N 123.948 0.78 . . . . 73.53 110.999 179.107 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -60.54 -52.54 64.73 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 124.096 0.872 . . . . 72.35 111.004 178.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.6 t -70.08 -27.5 64.67 Favored 'General case' 0 C--N 1.345 0.372 0 O-C-N 124.201 0.938 . . . . 74.42 111.039 -176.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.482 ' O ' HG12 ' A' ' 75' ' ' ILE . 1.2 tt -59.01 -51.55 69.6 Favored 'General case' 0 C--N 1.361 1.104 0 N-CA-C 108.758 -0.83 . . . . 71.51 108.758 172.725 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.515 ' HG2' ' HB1' ' A' ' 91' ' ' ALA . 54.7 mtpt -69.52 -32.46 71.31 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.754 0.821 . . . . 72.13 111.948 -177.533 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -68.3 -33.46 74.37 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.4 0.68 . . . . 72.11 109.718 174.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.499 ' O ' HG13 ' A' ' 78' ' ' ILE . . . -69.11 -39.54 78.88 Favored 'General case' 0 C--O 1.215 -0.755 0 CA-C-O 118.66 -0.686 . . . . 75.31 110.013 174.422 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.602 HG22 ' HG2' ' A' ' 88' ' ' LYS . 32.7 mm -60.8 -47.17 94.44 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 C-N-CA 123.405 0.682 . . . . 74.53 111.485 -177.323 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 34.8 p -67.63 -18.39 64.95 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-N 114.703 -1.135 . . . . 63.41 111.293 177.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -99.06 -10.01 23.14 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.02 0.928 . . . . 74.11 112.03 177.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.499 HG13 ' O ' ' A' ' 74' ' ' ALA . 63.8 mt -68.78 131.39 91.19 Favored Pre-proline 0 N--CA 1.485 1.291 0 CA-C-O 118.768 -0.634 . . . . 72.01 109.345 177.115 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -57.14 133.2 56.12 Favored 'Trans proline' 0 C--N 1.374 1.892 0 C-N-CA 122.527 2.151 . . . . 75.04 110.636 167.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -80.99 48.87 1.15 Allowed 'General case' 0 CA--C 1.559 1.293 0 CA-C-O 121.737 0.78 . . . . 71.4 111.265 -177.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -67.24 -62.37 1.46 Allowed 'General case' 0 C--N 1.353 0.751 0 CA-C-N 115.438 -0.801 . . . . 71.14 109.351 178.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -160.1 -60.37 0.06 Allowed 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 108.381 -0.97 . . . . 73.53 108.381 -176.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -76.01 4.76 44.87 Favored Glycine 0 C--N 1.351 1.379 0 N-CA-C 115.357 0.903 . . . . 75.35 115.357 -169.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.437 ' HG2' ' HB ' ' A' ' 78' ' ' ILE . 3.3 tmm_? -62.19 -28.8 69.93 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 108.842 -0.799 . . . . 71.24 108.842 172.181 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -63.37 -59.91 4.07 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.68 1.192 . . . . 73.04 111.58 177.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.37 -31.52 70.95 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 122.968 0.507 . . . . 72.52 111.45 -175.064 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.457 ' HA ' ' HE1' ' A' ' 90' ' ' MET . . . -69.12 -34.17 74.63 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.548 -0.751 . . . . 71.34 111.035 178.167 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.602 ' HG2' HG22 ' A' ' 75' ' ' ILE . 8.3 tmtt? -63.22 -36.85 85.03 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 123.76 0.824 . . . . 74.34 108.924 176.532 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.451 ' HA ' ' HE3' ' A' ' 92' ' ' LYS . 43.7 mt-10 -68.52 -30.62 69.47 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 115.015 -0.993 . . . . 65.03 110.823 178.694 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.457 ' HE1' ' HA ' ' A' ' 87' ' ' ALA . 61.1 mtm -67.34 -39.5 85.78 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.957 0.503 . . . . 75.44 110.744 174.053 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.515 ' HB1' ' HG2' ' A' ' 72' ' ' LYS . . . -64.88 -31.65 72.99 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 115.639 -0.709 . . . . 64.51 110.739 176.249 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.472 ' O ' ' HG2' ' A' ' 96' ' ' GLU . 10.1 mtmp? -63.27 -42.59 99.13 Favored 'General case' 0 C--N 1.362 1.137 0 O-C-N 123.649 0.593 . . . . 75.21 110.438 174.584 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.412 ' HB2' ' HE1' ' A' ' 49' ' ' PHE . 69.1 mmtt -58.56 -42.38 87.82 Favored 'General case' 0 N--CA 1.482 1.142 0 O-C-N 123.884 0.74 . . . . 74.02 110.947 178.38 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.49 -37.65 88.11 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.722 0.809 . . . . 64.13 111.497 -179.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -66.87 -39.42 87.52 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.663 0.785 . . . . 75.01 110.853 175.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 17.4 mm-40 -63.2 -52.06 63.84 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.614 0.766 . . . . 73.53 110.418 179.684 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 28.0 m0 -59.94 -32.9 71.22 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 124.111 0.882 . . . . 74.31 111.106 179.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.512 HD13 ' HG2' ' A' ' 65' ' ' ARG . 25.8 tp -66.48 -38.62 87.69 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 123.787 0.68 . . . . 74.11 110.772 179.043 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 12.4 mm-40 -68.65 -29.74 68.29 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 122.318 0.247 . . . . 64.02 110.616 177.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.59 -46.58 68.98 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.523 0.729 . . . . 63.2 110.71 177.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -72.4 -40.36 67.26 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.707 0.803 . . . . 74.41 112.21 -179.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 77.5 mm-40 -76.74 103.44 6.71 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 109.309 -0.626 . . . . 74.43 109.309 177.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 42.6 t-20 -146.75 116.46 7.17 Favored 'General case' 0 C--O 1.242 0.7 0 N-CA-C 108.969 -0.752 . . . . 74.13 108.969 -176.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 7.8 t30 . . . . . 0 C--O 1.253 1.266 0 C-N-CA 124.32 1.048 . . . . 70.42 108.866 -179.535 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.047 0 N-CA-C 110.142 -0.318 . . . . 63.4 110.142 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -60.28 -24.26 64.81 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 123.697 0.799 . . . . 72.11 112.942 -171.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -58.54 -55.37 35.95 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 124.552 1.141 . . . . 75.31 110.498 173.08 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -63.81 -43.54 95.94 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.295 1.038 . . . . 75.42 110.93 -179.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 64.6 mt -57.36 -52.78 52.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 O-C-N 124.612 1.195 . . . . 74.5 110.146 -177.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.404 ' O ' ' HG3' ' A' ' 10' ' ' LYS . . . -59.74 -37.77 79.87 Favored 'General case' 0 C--N 1.357 0.912 0 O-C-N 124.315 1.009 . . . . 73.01 110.967 179.755 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -67.67 -39.35 84.49 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.869 0.867 . . . . 72.32 111.456 -178.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -75.19 -23.28 57.66 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 122.86 0.464 . . . . 74.43 110.652 177.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.446 ' HA ' ' HB3' ' A' ' 12' ' ' TYR . 44.4 mt-10 -79.28 -23.44 43.6 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.561 0.744 . . . . 74.12 110.78 172.079 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.404 ' HG3' ' O ' ' A' ' 6' ' ' ALA . 93.1 mttt -79.31 -12.32 59.93 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.146 0.578 . . . . 72.03 110.113 172.798 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -101.24 -14.57 17.62 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.983 0.913 . . . . 63.03 110.639 170.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.446 ' HB3' ' HA ' ' A' ' 9' ' ' GLU . 73.5 t80 -98.41 164.08 12.43 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 124.505 1.122 . . . . 73.51 108.849 173.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.9 mttt 61.79 -81.04 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 124.756 1.222 . . . . 75.3 109.867 -175.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -73.77 83.54 1.63 Allowed 'General case' 0 CA--C 1.552 1.019 0 N-CA-C 105.685 -1.969 . . . . 74.52 105.685 165.277 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -100.54 -56.95 2.22 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.572 -0.74 . . . . 44.34 110.292 -173.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -166.72 63.2 0.09 Allowed 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 108.492 -0.929 . . . . 74.24 108.492 173.212 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 59.3 -81.83 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 125.416 1.486 . . . . 75.0 113.156 175.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.6 tt -76.96 82.29 3.5 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.4 1.08 . . . . 72.0 108.998 -176.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.528 ' HA ' HD11 ' A' ' 23' ' ' LEU . 85.3 m-20 -74.43 86.84 2.04 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.869 0.868 . . . . 62.13 110.561 -174.648 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -66.48 -49.58 66.13 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 114.935 -1.03 . . . . 71.25 110.568 175.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 144.62 -49.63 0.68 Allowed Glycine 0 C--N 1.34 0.763 0 N-CA-C 108.819 -1.712 . . . . 64.33 108.819 -168.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -43.0 -38.94 2.44 Favored 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 126.484 1.914 . . . . 62.31 113.177 174.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.528 HD11 ' HA ' ' A' ' 19' ' ' ASN . 71.4 mt -70.09 -10.98 60.49 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.545 1.138 . . . . 74.52 113.072 -174.255 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 33.4 mtm -127.01 -167.55 1.75 Allowed 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.965 1.306 . . . . 73.14 108.779 -174.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.94 -60.72 4.42 Favored Glycine 0 C--N 1.346 1.138 0 N-CA-C 111.214 -0.754 . . . . 51.13 111.214 -177.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 42.3 ttp180 -64.57 -42.73 95.46 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.3 0.64 . . . . 74.25 109.632 170.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.427 ' O ' HG13 ' A' ' 31' ' ' ILE . . . -60.62 -43.26 97.71 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 123.945 0.778 . . . . 74.2 110.824 173.001 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.22 -35.49 81.23 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 124.375 1.07 . . . . 71.2 110.537 -179.686 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -65.01 -42.13 94.7 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 114.519 -1.218 . . . . 73.11 109.442 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -64.47 -36.72 85.11 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 124.009 0.818 . . . . 72.24 111.403 -178.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 27' ' ' ALA . 28.0 mt -65.16 -45.31 94.39 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.811 0 O-C-N 123.928 0.767 . . . . 73.54 109.499 175.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.55 -34.43 89.91 Favored Glycine 0 C--N 1.354 1.573 0 CA-C-N 115.423 -0.808 . . . . 55.43 113.366 -179.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 97.9 mt -57.78 -40.56 80.11 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.721 0.808 . . . . 71.43 110.246 174.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -74.79 -26.77 59.97 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.041 -0.981 . . . . 71.43 112.363 -178.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.549 ' HA ' ' HE2' ' A' ' 38' ' ' MET . 4.6 mptp? -64.46 -42.11 96.13 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 109.292 -0.633 . . . . 74.31 109.292 170.297 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -67.41 -30.75 70.58 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.709 0.803 . . . . 75.12 110.612 176.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -68.73 -25.79 64.92 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.869 0.868 . . . . 75.35 111.467 175.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.549 ' HE2' ' HA ' ' A' ' 35' ' ' LYS . 70.0 mtm -87.05 -4.68 59.18 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.036 0.534 . . . . 75.32 111.64 176.546 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.9 -1.8 87.78 Favored Glycine 0 C--N 1.341 0.821 0 N-CA-C 112.464 -0.254 . . . . 62.24 112.464 -173.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.523 ' HD2' ' HE1' ' A' ' 38' ' ' MET . 98.4 mttt -84.36 67.73 9.96 Favored 'General case' 0 C--N 1.353 0.758 0 N-CA-C 108.374 -0.973 . . . . 71.54 108.374 175.237 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.66 -16.32 62.25 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 114.531 -1.213 . . . . 62.35 111.824 -176.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.454 ' HG2' HD11 ' A' ' 78' ' ' ILE . 2.1 tmm_? -72.61 -50.28 26.37 Favored 'General case' 0 C--N 1.355 0.839 0 N-CA-C 108.572 -0.899 . . . . 73.24 108.572 173.622 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -61.32 -34.57 75.47 Favored 'General case' 0 N--CA 1.479 1.001 0 O-C-N 124.115 0.885 . . . . 64.41 111.183 173.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.55 -51.75 68.5 Favored 'General case' 0 C--N 1.35 0.592 0 N-CA-C 109.381 -0.6 . . . . 72.31 109.381 175.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.63 -43.01 79.83 Favored 'General case' 0 C--N 1.351 0.647 0 O-C-N 124.726 1.266 . . . . 75.55 111.282 178.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.453 ' HG2' ' O ' ' A' ' 42' ' ' ARG . 72.3 mm-40 -53.35 -52.86 57.86 Favored 'General case' 0 C--N 1.355 0.835 0 C-N-CA 123.625 0.77 . . . . 71.34 110.576 178.255 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -72.46 -29.52 63.74 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.201 1.001 . . . . 73.42 111.752 -174.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -72.05 -32.88 67.51 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.087 0.555 . . . . 71.42 110.817 176.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -67.36 -50.63 59.02 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.597 -0.729 . . . . 72.33 110.129 175.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -65.1 -32.11 73.65 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 115.181 -0.918 . . . . 75.41 110.367 -178.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.95 -46.27 78.75 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 115.602 -0.726 . . . . 71.42 109.702 172.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.1 -32.63 72.31 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 124.191 0.932 . . . . 71.21 111.686 -179.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 72.2 mt -59.89 -49.92 82.09 Favored 'Isoleucine or valine' 0 C--N 1.359 0.997 0 C-N-CA 123.852 0.861 . . . . 75.1 110.089 173.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 76.1 t -59.45 -45.9 93.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 123.265 0.626 . . . . 73.55 110.964 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -63.67 -34.33 77.62 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 115.03 -0.986 . . . . 74.25 111.081 178.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -71.44 -40.12 70.56 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 123.023 0.529 . . . . 74.22 111.44 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.14 -44.91 71.79 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 123.17 0.588 . . . . 74.2 110.836 173.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -83.02 -9.0 59.49 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 115.202 -0.908 . . . . 73.13 111.819 178.255 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 59.61 29.19 18.74 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 124.831 1.252 . . . . 74.24 112.063 178.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -81.04 99.47 8.48 Favored 'General case' 0 C--O 1.241 0.606 0 C-N-CA 124.867 1.267 . . . . 64.15 108.084 178.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.43 HG23 ' HB3' ' A' ' 101' ' ' GLU . 35.4 p -62.04 -40.54 96.08 Favored 'General case' 0 C--O 1.214 -0.781 0 C-N-CA 123.83 0.852 . . . . 73.12 112.745 -174.527 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -64.78 -39.83 94.25 Favored 'General case' 0 N--CA 1.486 1.336 0 O-C-N 123.651 0.594 . . . . 70.12 111.5 -175.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -73.11 -45.06 33.23 Favored Glycine 0 C--N 1.344 1.021 0 O-C-N 123.551 0.532 . . . . 73.2 111.934 178.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 61.5 tp -59.46 -36.68 76.43 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 124.763 1.225 . . . . 73.35 110.764 176.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -65.98 -50.92 62.61 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.832 1.653 . . . . 74.32 110.264 177.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -64.35 -40.33 95.66 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.311 0.644 . . . . 61.15 110.836 -178.378 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.51 -32.87 73.14 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.29 0.636 . . . . 74.24 110.953 179.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.401 ' O ' ' HG2' ' A' ' 72' ' ' LYS . . . -71.14 -42.73 68.78 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.591 0.757 . . . . 64.22 111.469 177.623 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.533 ' HB3' ' HZ2' ' A' ' 69' ' ' LYS . 9.3 mtpm? -66.57 -39.07 88.29 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.863 0.865 . . . . 72.53 110.237 177.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.0 t -70.05 -32.58 70.76 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 114.749 -1.114 . . . . 75.42 110.3 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.1 mt -61.47 -43.72 98.36 Favored 'General case' 0 C--N 1.361 1.073 0 C-N-CA 123.717 0.807 . . . . 74.54 110.413 172.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 68' ' ' ALA . 44.3 mmtm -59.35 -44.89 92.61 Favored 'General case' 0 N--CA 1.481 1.121 0 O-C-N 123.393 0.433 . . . . 74.15 110.559 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -67.35 -46.92 71.97 Favored 'General case' 0 N--CA 1.48 1.042 0 O-C-N 123.945 0.778 . . . . 75.41 110.808 -179.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.11 -47.15 87.1 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.844 0.858 . . . . 73.43 111.177 -175.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.472 HD12 ' HB1' ' A' ' 91' ' ' ALA . 36.4 mt -74.44 -33.21 32.59 Favored 'Isoleucine or valine' 0 C--O 1.245 0.862 0 N-CA-C 112.203 0.446 . . . . 73.42 112.203 -173.554 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 68.2 p -76.81 -15.58 59.69 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 116.596 -0.275 . . . . 73.32 110.782 174.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -89.65 -18.3 26.74 Favored 'General case' 0 C--N 1.354 0.795 0 C-N-CA 123.435 0.694 . . . . 62.14 111.524 175.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.454 HD11 ' HG2' ' A' ' 42' ' ' ARG . 58.9 mt -62.24 114.36 11.49 Favored Pre-proline 0 N--CA 1.487 1.424 0 N-CA-C 108.283 -1.006 . . . . 74.31 108.283 174.629 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.42 -83.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.383 2.379 0 C-N-CA 123.132 2.554 . . . . 72.41 112.637 -177.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 176.41 87.01 0.01 OUTLIER 'General case' 0 C--N 1.361 1.08 0 C-N-CA 123.497 0.719 . . . . 72.11 109.563 -178.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 177.58 -52.63 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 123.443 0.697 . . . . 65.24 111.044 175.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -69.8 -28.93 66.14 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 115.38 -0.827 . . . . 73.41 111.733 -165.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 129.38 70.35 0.12 Allowed Glycine 0 C--N 1.342 0.893 0 N-CA-C 111.673 -0.571 . . . . 62.54 111.673 175.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 15.1 ptt180 -76.28 -22.76 54.67 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-O 119.272 -0.394 . . . . 73.0 111.354 176.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -74.43 -50.3 19.0 Favored 'General case' 0 C--N 1.353 0.735 0 N-CA-C 108.84 -0.8 . . . . 72.53 108.84 -178.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -63.71 -35.89 82.05 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 115.538 -0.755 . . . . 73.44 110.158 178.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.573 ' HA ' ' HE3' ' A' ' 90' ' ' MET . . . -73.7 -33.16 64.28 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 115.902 -0.59 . . . . 65.43 110.88 178.53 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.465 ' HA ' HD11 ' A' ' 75' ' ' ILE . 4.5 tppp? -60.34 -37.88 82.01 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.749 0.82 . . . . 75.21 110.566 -179.122 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -55.12 -31.96 61.68 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.236 1.014 . . . . 74.43 111.977 178.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.573 ' HE3' ' HA ' ' A' ' 87' ' ' ALA . 45.0 mtm -73.92 -32.58 63.6 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.511 1.124 . . . . 73.44 111.511 -178.331 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.472 ' HB1' HD12 ' A' ' 75' ' ' ILE . . . -59.8 -40.4 88.2 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 122.929 0.492 . . . . 72.13 110.236 173.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.454 ' O ' ' HG2' ' A' ' 96' ' ' GLU . 0.8 OUTLIER -64.5 -41.94 96.14 Favored 'General case' 0 C--N 1.364 1.202 0 O-C-N 124.101 0.875 . . . . 74.13 110.16 177.947 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 26.3 mmtp -59.51 -44.3 93.16 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 124.053 0.941 . . . . 73.42 111.937 178.192 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.45 -35.75 76.58 Favored 'General case' 0 N--CA 1.468 0.429 0 O-C-N 124.442 1.089 . . . . 72.34 111.103 177.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.454 ' HG2' ' O ' ' A' ' 91' ' ' ALA . 19.7 mm-40 -75.54 -32.61 60.52 Favored 'General case' 0 C--O 1.219 -0.545 0 O-C-N 124.145 0.903 . . . . 73.13 111.154 176.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.454 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 58.4 mm-40 -63.04 -49.84 72.99 Favored 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 109.472 -0.566 . . . . 72.42 109.472 178.072 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . 0.448 ' O ' ' HG2' ' A' ' 101' ' ' GLU . 24.0 m0 -64.6 -45.65 86.04 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.202 -0.908 . . . . 74.54 110.53 -179.587 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 49.9 tp -62.42 -48.4 79.87 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 123.967 0.792 . . . . 73.13 111.826 -177.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -66.63 -27.23 67.52 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.399 0.679 . . . . 74.5 111.2 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.43 -36.83 65.99 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.236 0.614 . . . . 71.12 110.739 175.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' A' ' 97' ' ' TRP . 49.4 mm-40 -71.77 -37.16 70.52 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.147 0.579 . . . . 72.32 111.164 177.217 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -79.71 129.04 34.14 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.535 0.734 . . . . 75.41 110.286 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 49.0 m-80 -77.86 -24.04 48.66 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.769 0.828 . . . . 74.52 110.797 178.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 . . . . . 0 C--O 1.25 1.117 0 N-CA-C 107.811 -1.181 . . . . 71.14 107.811 177.472 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.142 0 N-CA-C 109.835 -0.432 . . . . 75.01 109.835 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 58.33 24.75 11.96 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 124.383 1.073 . . . . 64.51 113.843 171.223 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -67.97 -37.99 82.2 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.455 0.702 . . . . 70.53 110.379 178.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -58.01 -45.22 87.24 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.485 1.114 . . . . 75.42 110.902 175.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.5 HG22 HG22 ' A' ' 31' ' ' ILE . 77.7 mt -70.46 -41.17 78.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 123.513 0.725 . . . . 73.52 110.779 177.502 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.58 -27.28 68.84 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.568 0.747 . . . . 64.41 111.545 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -70.52 -40.48 73.48 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 115.529 -0.759 . . . . 62.24 110.145 172.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 20.9 m-30 -69.89 -29.97 67.29 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.511 0.724 . . . . 73.12 111.505 177.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -59.81 -46.58 88.77 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.698 0.799 . . . . 75.2 109.435 172.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.1 tptm -87.0 -6.93 58.59 Favored 'General case' 0 CA--C 1.555 1.137 0 CA-C-N 115.106 -0.952 . . . . 74.44 111.317 -179.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.77 -28.14 58.32 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-O 121.105 0.479 . . . . 70.21 110.086 171.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.532 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 1.5 t80 -90.26 148.6 22.8 Favored 'General case' 0 CA--C 1.55 0.98 0 N-CA-C 108.62 -0.882 . . . . 74.32 108.62 176.787 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 47.0 tptt -144.06 34.3 1.23 Allowed 'General case' 0 N--CA 1.484 1.252 0 CA-C-O 121.723 0.773 . . . . 75.1 109.663 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.5 ' H ' ' HD1' ' A' ' 12' ' ' TYR . 98.9 mttt 59.73 126.1 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.529 1.532 . . . . 75.13 112.923 -174.131 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.59 -2.07 24.32 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 115.124 -0.944 . . . . 71.5 111.517 172.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -69.48 -34.19 73.99 Favored 'General case' 0 C--N 1.352 0.674 0 C-N-CA 124.9 1.28 . . . . 75.45 110.048 171.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.62 104.55 7.18 Favored 'General case' 0 C--O 1.24 0.595 0 CA-C-N 115.608 -0.724 . . . . 74.13 110.213 178.066 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.55 ' HB2' HE21 ' A' ' 20' ' ' GLN . 91.0 mt 67.29 164.66 0.21 Allowed 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 124.983 1.313 . . . . 74.22 111.45 -176.559 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -77.35 76.87 3.89 Favored 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 108.259 -1.015 . . . . 64.31 108.259 172.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.55 HE21 ' HB2' ' A' ' 18' ' ' LEU . 42.5 mt-30 -129.81 31.87 4.66 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 114.701 -1.136 . . . . 75.14 109.291 -176.235 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.77 -21.03 68.95 Favored Glycine 0 C--N 1.354 1.534 0 CA-C-N 115.768 -0.651 . . . . 71.23 112.904 176.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -67.2 -39.83 86.38 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 123.809 0.844 . . . . 63.01 110.791 170.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 59.2 mt -81.83 -2.66 51.73 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.349 0.659 . . . . 74.52 111.625 -174.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.428 ' HB3' ' CZ ' ' A' ' 12' ' ' TYR . 16.5 mtm -141.45 -171.68 3.36 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.444 0.698 . . . . 75.42 111.598 -176.003 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.99 -50.52 3.12 Favored Glycine 0 C--N 1.348 1.229 0 C-N-CA 123.694 0.664 . . . . 63.12 111.732 -171.089 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 65.7 mtp180 -58.83 -43.16 90.62 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.842 1.257 . . . . 72.54 112.294 -176.199 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.532 ' HB3' ' HD2' ' A' ' 12' ' ' TYR . . . -61.84 -46.1 90.93 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 123.459 0.474 . . . . 55.01 111.364 -178.598 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.552 HD23 HD13 ' A' ' 31' ' ' ILE . 21.7 mt -63.67 -34.61 78.25 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.031 0.532 . . . . 73.33 111.825 177.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -62.12 -42.51 99.31 Favored 'General case' 0 CA--C 1.546 0.797 0 O-C-N 123.328 0.392 . . . . 74.42 110.28 174.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.515 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 50.3 m-80 -67.15 -40.44 86.68 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-O 118.797 -0.62 . . . . 73.12 111.549 177.506 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.552 HD13 HD23 ' A' ' 28' ' ' LEU . 64.7 mt -63.14 -37.12 78.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 N-CA-C 109.591 -0.522 . . . . 74.21 109.591 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.52 -48.03 87.97 Favored Glycine 0 C--N 1.347 1.141 0 CA-C-N 114.79 -1.096 . . . . 74.23 112.218 173.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.529 ' O ' ' HG2' ' A' ' 37' ' ' LYS . 97.1 mt -58.53 -43.4 89.2 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 123.157 0.583 . . . . 74.13 110.506 177.084 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.515 ' HG2' ' O ' ' A' ' 30' ' ' ASN . 7.8 mm-40 -64.37 -37.93 89.26 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 124.209 1.004 . . . . 74.34 111.988 -176.691 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.428 ' HG3' ' HE2' ' A' ' 47' ' ' TYR . 33.7 mmtp -68.36 -42.27 79.42 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 116.026 -0.533 . . . . 75.53 110.005 173.74 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -64.7 -28.55 69.67 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.886 0.874 . . . . 65.01 110.69 -179.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.529 ' HG2' ' O ' ' A' ' 33' ' ' LEU . 74.5 mmtt -62.74 -41.49 99.21 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.48 0.712 . . . . 73.41 110.598 175.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 36.4 mtm -87.11 -2.27 58.5 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 115.154 -0.93 . . . . 70.23 111.225 -177.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 96.55 -6.78 65.49 Favored Glycine 0 C--N 1.348 1.207 0 CA-C-O 119.448 -0.64 . . . . 53.53 113.68 177.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -75.57 77.73 2.58 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-O 121.886 0.85 . . . . 73.34 110.432 177.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.35 -23.86 26.05 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 114.568 -1.196 . . . . 65.52 112.584 -170.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -73.94 -39.96 63.42 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 109.563 -0.532 . . . . 72.01 109.563 176.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -66.17 -42.37 89.03 Favored 'General case' 0 C--N 1.353 0.739 0 O-C-N 123.898 0.749 . . . . 72.54 109.618 171.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.63 -54.3 39.55 Favored 'General case' 0 C--N 1.349 0.577 0 O-C-N 124.085 0.866 . . . . 73.21 110.904 179.007 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.462 ' HB3' HD21 ' A' ' 71' ' ' LEU . . . -57.69 -36.55 72.11 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 124.378 1.049 . . . . 71.24 111.587 179.083 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.445 ' HA ' ' HE2' ' A' ' 90' ' ' MET . 5.8 tm-20 -66.97 -39.45 87.22 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.971 0.909 . . . . 74.12 110.572 -178.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.428 ' HE2' ' HG3' ' A' ' 35' ' ' LYS . 63.1 m-85 -71.93 -36.13 69.83 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.243 0.617 . . . . 71.22 111.663 175.23 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -66.83 -29.77 69.78 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.129 0.571 . . . . 72.13 110.849 178.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -70.13 -47.72 60.51 Favored 'General case' 0 C--N 1.343 0.31 0 O-C-N 124.11 0.882 . . . . 74.42 110.54 177.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.428 ' CB ' HD13 ' A' ' 28' ' ' LEU . 72.6 mtt180 -56.24 -46.86 79.42 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 124.161 0.913 . . . . 74.22 109.949 176.418 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.07 -44.93 95.61 Favored 'General case' 0 C--N 1.348 0.519 0 CA-C-N 114.366 -1.288 . . . . 74.42 110.549 179.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.28 -31.87 73.24 Favored 'General case' 0 N--CA 1.485 1.304 0 O-C-N 123.957 0.786 . . . . 73.01 111.913 -176.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 94.6 mt -61.68 -50.44 80.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 123.554 0.742 . . . . 73.24 109.698 173.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 51.7 t -67.88 -41.88 85.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 O-C-N 123.853 0.72 . . . . 73.32 110.987 -175.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -63.33 -47.68 81.18 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.469 0.708 . . . . 64.45 111.379 179.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.404 ' CD1' ' HB3' ' A' ' 97' ' ' TRP . 64.8 t80 -64.42 -45.5 87.29 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 123.43 0.456 . . . . 74.23 111.518 178.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 45.5 tptt -55.63 -39.47 70.87 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.55 1.14 . . . . 73.43 111.009 178.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -88.45 -9.71 51.6 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-N 115.407 -0.815 . . . . 74.54 111.165 177.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 64.4 m-70 65.44 31.91 9.95 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 125.162 1.385 . . . . 54.31 112.068 177.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -79.98 102.57 9.32 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 108.75 -0.833 . . . . 75.42 108.75 169.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 18.8 p -69.84 -25.46 63.76 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.555 0.742 . . . . 71.3 112.466 -178.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -64.79 -59.1 4.6 Favored 'General case' 0 N--CA 1.477 0.878 0 O-C-N 123.8 0.688 . . . . 71.23 109.738 -179.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -71.23 -31.49 66.21 Favored Glycine 0 C--N 1.342 0.861 0 CA-C-N 114.726 -1.125 . . . . 63.11 113.459 -176.07 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 65.7 tp -67.9 -42.2 81.54 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 122.927 0.491 . . . . 74.24 110.684 176.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -61.11 -44.66 97.01 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 124.028 0.931 . . . . 71.33 110.568 177.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 58.9 mtp180 -66.33 -49.77 65.83 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 114.803 -1.089 . . . . 74.33 110.632 179.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.473 ' O ' ' HB2' ' A' ' 71' ' ' LEU . . . -66.92 -31.22 71.67 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.227 0.611 . . . . 74.31 111.953 -175.419 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.45 ' HA ' ' HB1' ' A' ' 94' ' ' ALA . . . -63.91 -46.34 85.27 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.393 0.677 . . . . 65.42 111.05 176.578 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -72.95 -38.43 66.78 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 114.879 -1.055 . . . . 73.13 111.406 179.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 50.2 m -68.61 -33.29 73.79 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 123.767 0.667 . . . . 73.12 110.414 -179.021 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.473 ' HB2' ' O ' ' A' ' 67' ' ' ALA . 0.9 OUTLIER -62.81 -53.16 58.59 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.717 0.807 . . . . 75.11 109.52 179.395 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.22 -37.69 72.02 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-N 115.353 -0.84 . . . . 64.15 112.409 -173.171 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -68.67 -29.2 67.62 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 122.675 0.39 . . . . 74.4 110.412 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.26 -34.71 70.96 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 115.561 -0.745 . . . . 64.11 110.745 175.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.718 HD11 ' HA ' ' A' ' 88' ' ' LYS . 59.9 mt -71.63 -38.93 68.8 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.254 0 C-N-CA 123.365 0.666 . . . . 73.03 111.76 179.618 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 39.4 p -71.01 -12.9 61.79 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 116.419 -0.355 . . . . 75.21 111.02 173.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -94.82 -15.67 23.57 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 123.852 0.861 . . . . 71.53 111.867 177.03 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 56.0 mt -65.57 130.87 94.7 Favored Pre-proline 0 N--CA 1.49 1.55 0 N-CA-C 108.953 -0.758 . . . . 75.53 108.953 175.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -66.5 -179.01 1.36 Allowed 'Trans proline' 0 C--N 1.376 1.993 0 C-N-CA 122.735 2.29 . . . . 74.2 112.278 178.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -62.43 165.39 6.17 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 122.811 0.444 . . . . 64.44 112.149 -175.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.4 tm-20 74.36 -70.05 0.17 Allowed 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 125.188 1.395 . . . . 72.51 109.337 -178.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -73.84 157.59 36.09 Favored 'General case' 0 CA--C 1.55 0.958 0 CA-C-O 121.179 0.514 . . . . 64.43 110.792 179.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 81.59 -168.68 50.01 Favored Glycine 0 C--N 1.348 1.244 0 N-CA-C 110.661 -0.976 . . . . 63.34 110.661 -170.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? 73.48 -51.46 0.7 Allowed 'General case' 0 N--CA 1.499 1.984 0 C-N-CA 124.764 1.226 . . . . 74.31 109.695 178.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -99.24 -161.16 0.85 Allowed 'General case' 0 CA--C 1.558 1.263 0 N-CA-C 108.466 -0.938 . . . . 75.24 108.466 155.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 60.18 -94.41 0.05 OUTLIER 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 123.999 0.92 . . . . 74.1 111.425 172.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.526 ' HA ' ' HE1' ' A' ' 90' ' ' MET . . . -75.8 -29.05 58.59 Favored 'General case' 0 C--N 1.35 0.59 0 C-N-CA 123.305 0.642 . . . . 73.3 111.375 -173.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.718 ' HA ' HD11 ' A' ' 75' ' ' ILE . 13.8 tmtt? -65.29 -33.63 76.44 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.882 0.873 . . . . 73.53 111.342 -173.669 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -59.37 -31.79 69.53 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.838 0.855 . . . . 75.52 111.868 -178.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.526 ' HE1' ' HA ' ' A' ' 87' ' ' ALA . 40.7 mtm -72.84 -31.26 64.64 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.93 1.292 . . . . 73.45 111.824 -176.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.451 ' O ' ' HG2' ' A' ' 95' ' ' GLU . . . -53.92 -47.17 71.47 Favored 'General case' 0 N--CA 1.481 1.097 0 O-C-N 123.871 0.732 . . . . 73.44 110.802 177.06 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.434 ' O ' ' HG2' ' A' ' 96' ' ' GLU . 62.1 tttp -57.98 -42.72 85.69 Favored 'General case' 0 C--N 1.361 1.076 0 O-C-N 124.443 1.089 . . . . 73.45 111.027 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -58.96 -46.71 87.39 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 124.064 0.853 . . . . 75.31 110.988 -177.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.45 ' HB1' ' HA ' ' A' ' 68' ' ' ALA . . . -63.42 -35.39 80.25 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.7 0.8 . . . . 71.43 111.619 -179.484 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.461 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 10.8 mm-40 -66.21 -47.73 72.9 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.487 0.715 . . . . 75.21 111.002 175.006 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 68.0 mm-40 -56.23 -45.65 79.87 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.598 0.759 . . . . 70.44 110.986 -179.398 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . 0.404 ' HB3' ' CD1' ' A' ' 56' ' ' TYR . 44.5 m0 -68.62 -38.78 80.83 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 114.888 -1.051 . . . . 74.25 110.98 -178.114 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 30.2 tp -68.41 -34.08 75.36 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 115.783 -0.644 . . . . 75.22 111.271 -179.009 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.461 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 82.6 mm-40 -72.66 -32.04 65.53 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 122.738 0.415 . . . . 72.32 110.37 178.13 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.35 -30.91 71.96 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.429 0.692 . . . . 73.32 111.169 177.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -85.85 -52.58 5.65 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.747 0.819 . . . . 72.11 111.193 177.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -86.65 85.08 7.28 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.877 0.871 . . . . 74.13 110.164 -176.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -90.23 117.62 29.12 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.793 0.837 . . . . 73.53 110.096 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 19.9 m120 . . . . . 0 CA--C 1.55 0.951 0 C-N-CA 124.24 1.016 . . . . 62.24 108.458 179.541 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 121.034 0.445 . . . . 71.15 110.695 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -137.51 33.41 2.5 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.117 0.967 . . . . 72.44 110.341 -168.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -63.83 -56.42 15.53 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.223 1.009 . . . . 75.12 109.277 178.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -73.61 -30.79 63.2 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.337 0.655 . . . . 75.1 110.813 -178.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 64.4 mt -64.93 -34.63 71.78 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 C-N-CA 123.585 0.754 . . . . 73.12 110.503 178.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.53 -32.23 62.75 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 124.188 0.995 . . . . 71.31 111.867 178.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -64.99 -52.27 57.09 Favored 'General case' 0 C--N 1.354 0.762 0 O-C-N 123.943 0.777 . . . . 72.35 109.712 175.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -68.81 -33.52 73.98 Favored 'General case' 0 N--CA 1.479 0.993 0 O-C-N 124.391 1.057 . . . . 74.23 111.821 -172.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -61.48 -48.42 81.21 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.336 0.654 . . . . 73.23 110.834 179.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 36.2 mtmm -87.5 -14.94 38.98 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 122.943 0.497 . . . . 75.41 111.79 -179.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.06 -32.72 72.4 Favored 'General case' 0 N--CA 1.483 1.225 0 N-CA-C 109.417 -0.586 . . . . 71.04 109.417 171.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.621 ' HA ' ' HG2' ' A' ' 24' ' ' MET . 2.0 t80 -76.95 94.75 4.0 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 107.668 -1.234 . . . . 75.31 107.668 170.326 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -72.58 -85.77 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 123.006 0.523 . . . . 75.31 110.86 -175.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.652 ' HD3' ' HB3' ' A' ' 17' ' ' GLU . 4.8 ttmp? -157.01 91.25 1.18 Allowed 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.034 0.534 . . . . 74.24 110.102 -175.701 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -98.49 -0.58 43.1 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.724 0.81 . . . . 75.45 110.54 174.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -88.88 -49.06 7.03 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.868 0.867 . . . . 74.34 111.4 -175.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.652 ' HB3' ' HD3' ' A' ' 14' ' ' LYS . 39.0 tt0 -100.96 -32.62 10.55 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.316 0.646 . . . . 73.12 110.423 -177.335 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.479 ' HB3' ' HG3' ' A' ' 20' ' ' GLN . 95.7 mt -104.45 134.6 47.37 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 108.952 -0.758 . . . . 75.21 108.952 174.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 56.2 m-20 -87.23 59.43 5.56 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 109.002 -0.74 . . . . 74.21 109.002 176.113 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.479 ' HG3' ' HB3' ' A' ' 18' ' ' LEU . 96.4 mt-30 -100.49 34.87 2.27 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.03 0.932 . . . . 74.41 109.698 178.109 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.12 170.11 7.17 Favored Glycine 0 C--N 1.352 1.46 0 CA-C-O 119.548 -0.584 . . . . 73.51 113.005 -178.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 78.61 -41.64 0.3 Allowed 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 125.233 1.413 . . . . 73.01 110.464 -170.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.474 HD11 ' HB3' ' A' ' 20' ' ' GLN . 96.2 mt -60.39 -30.85 69.85 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 123.373 0.669 . . . . 74.41 110.195 166.455 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.621 ' HG2' ' HA ' ' A' ' 12' ' ' TYR . 28.9 mtm -126.73 178.75 5.73 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.385 1.074 . . . . 74.55 110.869 -176.639 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.97 -47.71 1.28 Allowed Glycine 0 C--N 1.346 1.096 0 N-CA-C 110.314 -1.115 . . . . 75.3 110.314 -171.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.2 ttt180 -54.85 -47.04 74.68 Favored 'General case' 0 C--N 1.354 0.761 0 C-N-CA 124.336 1.054 . . . . 73.24 110.775 174.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.413 ' O ' HG13 ' A' ' 31' ' ' ILE . . . -57.38 -39.81 76.83 Favored 'General case' 0 C--N 1.35 0.593 0 O-C-N 124.058 0.849 . . . . 75.33 112.601 -175.097 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.5 ' HG ' ' CE2' ' A' ' 12' ' ' TYR . 59.2 mt -65.44 -45.66 82.98 Favored 'General case' 0 N--CA 1.484 1.264 0 O-C-N 123.179 0.299 . . . . 75.33 110.529 176.621 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -57.36 -40.08 77.32 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.063 0.945 . . . . 71.5 111.078 177.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -73.48 -36.31 65.79 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.268 1.027 . . . . 73.53 111.331 -175.746 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' ' 27' ' ' ALA . 90.3 mt -63.76 -44.28 98.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 N-CA-C 109.052 -0.721 . . . . 71.12 109.052 171.401 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.04 -36.43 93.45 Favored Glycine 0 C--N 1.352 1.441 0 O-C-N 124.431 1.082 . . . . 54.21 113.246 -177.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 85.5 mt -59.34 -40.51 86.58 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.072 0.549 . . . . 71.22 110.015 175.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.428 ' HA ' ' HB3' ' A' ' 37' ' ' LYS . 43.6 mm-40 -76.37 -29.16 57.05 Favored 'General case' 0 C--N 1.348 0.51 0 O-C-N 123.979 0.799 . . . . 63.15 111.947 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -66.55 -49.43 66.46 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 109.605 -0.517 . . . . 73.42 109.605 175.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -64.1 -32.52 74.11 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 123.878 0.871 . . . . 70.34 110.448 179.071 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.428 ' HB3' ' HA ' ' A' ' 34' ' ' GLU . 1.6 tmtp? -66.19 -38.65 88.53 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 124.83 1.252 . . . . 74.02 110.838 173.721 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.446 ' HE1' ' HD2' ' A' ' 40' ' ' LYS . 69.7 mtm -86.54 1.33 52.0 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 123.406 0.682 . . . . 74.41 111.656 178.673 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.96 0.38 89.67 Favored Glycine 0 C--N 1.347 1.194 0 N-CA-C 113.758 0.263 . . . . 74.13 113.758 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.446 ' HD2' ' HE1' ' A' ' 38' ' ' MET . 62.3 mttm -82.49 55.34 2.9 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.923 1.289 . . . . 73.32 109.599 176.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.92 -27.52 65.83 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.535 1.134 . . . . 72.4 111.885 -171.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.67 -51.46 63.1 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 124.574 1.15 . . . . 74.31 110.798 172.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -79.99 -29.26 39.48 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 116.335 -0.393 . . . . 74.41 111.571 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.18 -53.63 55.95 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 124.094 0.871 . . . . 62.02 110.916 178.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.41 -35.14 73.43 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 124.742 1.276 . . . . 72.2 111.27 -179.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -68.16 -41.02 82.18 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 124.079 0.951 . . . . 73.52 109.817 -179.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.426 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 40.0 m-85 -66.83 -36.71 82.98 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.407 0.683 . . . . 73.35 111.16 175.676 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.441 ' HB2' ' HG ' ' A' ' 71' ' ' LEU . 23.5 m-85 -68.88 -32.41 72.05 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.22 0.608 . . . . 74.43 110.515 178.287 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -68.81 -51.4 41.24 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 123.741 0.651 . . . . 74.42 110.646 178.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 35.0 mtp180 -66.79 -33.07 74.81 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 123.978 0.799 . . . . 75.35 111.417 -179.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.21 -48.27 80.77 Favored 'General case' 0 C--N 1.35 0.597 0 O-C-N 123.711 0.632 . . . . 72.11 109.322 172.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.16 -34.63 73.83 Favored 'General case' 0 C--N 1.357 0.921 0 O-C-N 124.41 1.068 . . . . 60.54 111.515 -179.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 83.8 mt -57.5 -52.77 52.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 O-C-N 124.0 0.813 . . . . 72.24 110.111 174.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.444 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 41.0 t -64.09 -44.44 97.68 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 123.095 0.558 . . . . 73.21 110.764 -176.593 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -65.22 -29.97 70.81 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.172 0.589 . . . . 72.53 111.622 178.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 44.6 t80 -72.16 -42.58 65.76 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.208 0.603 . . . . 74.41 110.279 176.184 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -56.8 -37.06 70.63 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.974 0.91 . . . . 74.23 111.393 171.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' A' ' 54' ' ' VAL . 24.4 mm-40 -85.75 -11.78 52.72 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 115.969 -0.56 . . . . 71.35 111.652 179.068 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 60.19 28.18 17.74 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.926 1.29 . . . . 71.41 111.421 -177.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -81.88 94.35 7.07 Favored 'General case' 0 C--O 1.242 0.7 0 C-N-CA 125.75 1.62 . . . . 74.2 108.593 176.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 24.3 p -64.25 -25.76 68.2 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.838 0.855 . . . . 73.22 112.379 -177.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -59.76 -59.19 5.84 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 122.808 0.443 . . . . 75.13 110.896 176.234 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -75.3 -37.17 42.75 Favored Glycine 0 C--N 1.335 0.478 0 CA-C-N 115.066 -0.97 . . . . 74.43 113.408 -172.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 53.4 tp -61.72 -49.18 77.48 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.288 0.635 . . . . 75.01 110.329 178.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.424 ' O ' ' HG3' ' A' ' 69' ' ' LYS . 37.4 ttt180 -63.33 -46.36 86.97 Favored 'General case' 0 C--N 1.353 0.725 0 O-C-N 124.239 0.962 . . . . 74.54 110.12 179.635 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -65.53 -34.33 78.01 Favored 'General case' 0 CA--C 1.543 0.697 0 O-C-N 124.168 0.918 . . . . 75.41 111.005 -176.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.489 ' O ' ' HB2' ' A' ' 71' ' ' LEU . . . -71.76 -36.53 70.42 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.237 0.615 . . . . 72.34 110.283 178.204 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.08 -41.76 85.8 Favored 'General case' 0 N--CA 1.483 1.194 0 O-C-N 124.124 0.89 . . . . 75.24 110.995 175.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.424 ' HG3' ' O ' ' A' ' 65' ' ' ARG . 29.5 mtpp -60.63 -48.25 82.6 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.326 1.05 . . . . 75.22 110.811 176.358 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.7 t -71.52 -30.01 65.44 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.493 0.717 . . . . 72.41 110.368 -177.254 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.489 ' HB2' ' O ' ' A' ' 67' ' ' ALA . 0.5 OUTLIER -62.26 -54.49 40.05 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 124.345 1.058 . . . . 72.51 110.069 -177.884 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.517 ' HA ' HD12 ' A' ' 75' ' ' ILE . 21.8 pttp -64.02 -30.82 71.86 Favored 'General case' 0 N--CA 1.481 1.096 0 O-C-N 123.866 0.729 . . . . 73.02 111.569 -176.458 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -72.81 -36.24 67.51 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.753 0.821 . . . . 75.25 110.391 178.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.44 ' O ' HG13 ' A' ' 78' ' ' ILE . . . -67.23 -37.57 83.8 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.872 -0.604 . . . . 73.34 110.2 174.288 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.785 HD11 ' HA ' ' A' ' 88' ' ' LYS . 65.4 mt -66.31 -41.21 88.6 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 C-N-CA 123.497 0.719 . . . . 71.15 111.665 -177.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 50.7 p -62.26 -25.3 67.76 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 123.52 0.513 . . . . 64.13 110.793 174.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.89 -19.9 22.83 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.898 0.879 . . . . 71.31 112.439 178.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.44 HG13 ' O ' ' A' ' 74' ' ' ALA . 66.7 mt -64.89 118.94 53.84 Favored Pre-proline 0 N--CA 1.49 1.568 0 CA-C-N 118.452 0.569 . . . . 71.23 110.055 -179.596 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -53.22 120.27 7.46 Favored 'Trans proline' 0 C--N 1.378 2.118 0 C-N-CA 123.04 2.493 . . . . 74.43 111.12 167.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -67.74 84.91 0.2 Allowed 'General case' 0 C--O 1.248 0.993 0 C-N-CA 124.036 0.934 . . . . 73.52 110.328 -176.294 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -176.55 -51.53 0.01 OUTLIER 'General case' 0 C--O 1.237 0.445 0 CA-C-N 114.482 -1.236 . . . . 70.25 108.643 -174.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -73.28 -51.87 16.03 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 114.945 -1.025 . . . . 74.33 111.248 -176.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -143.52 -89.43 0.11 Allowed Glycine 0 C--N 1.34 0.76 0 N-CA-C 111.113 -0.795 . . . . 73.5 111.113 -177.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.434 ' H ' HG23 ' A' ' 78' ' ' ILE . 12.8 tpt180 60.42 -78.42 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 125.334 1.454 . . . . 72.13 112.434 172.396 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -65.73 -56.9 9.58 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.438 1.095 . . . . 75.52 110.958 -177.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -60.94 -37.39 82.18 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.312 0.645 . . . . 73.2 110.491 177.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -75.16 -25.41 58.32 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 114.865 -1.061 . . . . 73.33 111.795 -176.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.785 ' HA ' HD11 ' A' ' 75' ' ' ILE . 57.0 tttp -65.08 -34.24 77.95 Favored 'General case' 0 C--N 1.351 0.674 0 C-N-CA 123.634 0.773 . . . . 74.42 111.134 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.493 ' HA ' ' HD3' ' A' ' 92' ' ' LYS . 78.4 mm-40 -59.24 -28.62 66.86 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.447 1.099 . . . . 75.35 112.103 178.161 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.4 ' HE1' HD23 ' A' ' 71' ' ' LEU . 54.3 mtm -68.98 -39.64 79.29 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.195 0.598 . . . . 74.33 111.511 -178.606 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.27 -39.6 95.05 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.019 0.527 . . . . 65.32 110.067 174.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.493 ' HD3' ' HA ' ' A' ' 89' ' ' GLU . 55.8 mtpt -64.83 -40.25 94.88 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 114.679 -1.146 . . . . 75.44 110.713 177.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 34.2 mmtm -62.62 -46.98 85.78 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.541 0.736 . . . . 74.22 110.667 178.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.83 -31.46 72.1 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 124.254 0.971 . . . . 75.24 111.635 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 99' ' ' GLN . 3.0 tm-20 -75.54 -33.72 60.71 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.136 0.974 . . . . 71.41 110.05 177.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -65.42 -42.64 92.29 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.433 0.693 . . . . 75.23 110.353 175.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 34.9 m0 -65.83 -37.35 85.99 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 115.663 -0.698 . . . . 75.25 110.428 177.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.484 ' O ' ' HG2' ' A' ' 102' ' ' GLN . 51.7 tp -58.65 -43.76 89.89 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 124.198 0.936 . . . . 72.14 110.659 177.714 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.406 ' HG3' ' O ' ' A' ' 95' ' ' GLU . 71.1 mt-30 -60.71 -46.03 91.95 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.693 0.797 . . . . 73.22 110.561 176.099 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.62 -28.58 69.47 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.039 0.936 . . . . 74.21 111.92 -179.108 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -84.69 -11.34 56.07 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.7 0.8 . . . . 72.34 112.802 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' A' ' 98' ' ' LEU . 76.2 mm-40 -83.3 114.51 21.45 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 109.447 -0.575 . . . . 72.4 109.447 177.272 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 27.6 p30 -72.8 -29.3 63.15 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.618 0.767 . . . . 71.11 110.778 176.004 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 . . . . . 0 CA--C 1.557 1.224 0 C-N-CA 123.746 0.818 . . . . 73.43 110.602 175.756 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 23.1 mtm . . . . . 0 N--CA 1.473 0.724 0 N-CA-C 109.697 -0.483 . . . . 60.119999999999997 109.697 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.65 -60.04 4.78 Favored Glycine 0 C--N 1.345 1.057 0 N-CA-C 110.722 -0.951 . . . . 63.329999999999998 110.722 -168.544 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.2 ttt85 -62.41 -24.5 67.44 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.89 1.276 . . . . 74.340000000000003 111.664 178.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.43 -44.53 71.15 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-O 119.212 -0.423 . . . . 63.43 110.577 174.124 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.413 HD23 HD12 ' A' ' 31' ' ' ILE . 13.6 mt -64.75 -36.15 83.39 Favored 'General case' 0 N--CA 1.488 1.469 0 CA-C-N 117.707 0.23 . . . . 74.099999999999994 110.679 173.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.451 ' CZ ' ' HG2' ' A' ' 66' ' ' ARG . 85.7 t80 -60.59 -44.09 96.62 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 123.688 0.618 . . . . 71.349999999999994 109.951 176.727 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -69.95 -38.35 76.13 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.096 0.558 . . . . 71.109999999999999 110.503 -177.265 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.413 HD12 HD23 ' A' ' 28' ' ' LEU . 83.4 mt -61.57 -41.25 89.47 Favored 'Isoleucine or valine' 0 C--N 1.358 0.968 0 C-N-CA 123.448 0.699 . . . . 62.549999999999997 109.623 173.596 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.98 -44.23 97.4 Favored Glycine 0 C--N 1.351 1.384 0 CA-C-N 114.979 -1.009 . . . . 74.430000000000007 112.174 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.443 ' O ' ' HG3' ' A' ' 37' ' ' LYS . 89.9 mt -54.83 -49.78 70.22 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.162 0.585 . . . . 72.430000000000007 110.002 175.563 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -61.84 -39.68 92.68 Favored 'General case' 0 CA--C 1.546 0.818 0 O-C-N 124.116 0.885 . . . . 71.030000000000001 112.208 -178.252 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -60.64 -43.64 97.34 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 122.789 0.436 . . . . 51.409999999999997 110.223 179.259 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -69.55 -34.51 74.31 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.849 0.86 . . . . 74.329999999999998 110.603 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.443 ' HG3' ' O ' ' A' ' 33' ' ' LEU . 29.9 mtpp -66.1 -28.77 69.07 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 123.603 0.761 . . . . 74.510000000000005 111.204 177.054 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 68.5 mtm -92.05 1.83 56.95 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.421 0.688 . . . . 75.150000000000006 111.605 177.375 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 101.95 -27.33 20.88 Favored Glycine 0 C--N 1.35 1.318 0 N-CA-C 113.753 0.261 . . . . 63.549999999999997 113.753 174.041 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.2 mtmp? -83.78 76.11 10.03 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-O 121.423 0.63 . . . . 75.230000000000004 110.265 -176.603 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.76 -2.52 39.88 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.298 -0.865 . . . . 40.409999999999997 112.738 -175.642 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.439 ' O ' ' HG2' ' A' ' 46' ' ' GLU . 4.9 tpt180 -69.51 -55.5 10.04 Favored 'General case' 0 C--N 1.359 0.984 0 N-CA-C 109.937 -0.394 . . . . 74.209999999999994 109.937 175.522 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -62.73 -33.63 75.53 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 123.6 0.563 . . . . 75.430000000000007 110.184 177.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.56 -54.09 42.32 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 124.197 0.936 . . . . 62.020000000000003 111.225 173.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.61 -40.95 96.65 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.309 1.006 . . . . 75.310000000000002 111.412 -178.522 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' A' ' 42' ' ' ARG . 23.1 mm-40 -58.77 -46.56 87.24 Favored 'General case' 0 N--CA 1.479 1.012 0 O-C-N 123.907 0.755 . . . . 74.0 110.697 178.805 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -70.87 -32.5 69.51 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.622 -0.717 . . . . 71.219999999999999 112.054 -177.33 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -66.77 -33.19 75.08 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 123.623 0.577 . . . . 74.400000000000006 110.414 175.521 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -73.6 -50.69 19.87 Favored 'General case' 0 C--N 1.349 0.56 0 C-N-CA 123.23 0.612 . . . . 65.510000000000005 111.002 178.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.418 ' O ' HG23 ' A' ' 54' ' ' VAL . 58.7 mtp180 -64.57 -34.44 78.26 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.296 0.638 . . . . 74.530000000000001 110.287 -179.117 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.34 -46.4 83.64 Favored 'General case' 0 C--N 1.349 0.575 0 O-C-N 123.844 0.715 . . . . 55.009999999999998 109.805 172.622 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.4 -32.43 72.37 Favored 'General case' 0 C--N 1.355 0.837 0 O-C-N 124.039 0.837 . . . . 64.340000000000003 111.763 -178.663 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 85.7 mt -64.73 -44.73 96.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 123.241 0.616 . . . . 74.329999999999998 109.925 174.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 50' ' ' ARG . 70.6 t -63.33 -47.4 92.15 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.825 0 C-N-CA 123.351 0.66 . . . . 74.049999999999997 110.583 179.202 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -61.68 -40.69 95.86 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.506 0.722 . . . . 63.25 110.937 178.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -60.72 -50.53 73.09 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.963 0.905 . . . . 73.010000000000005 111.297 -179.622 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -61.78 -38.95 89.95 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.401 0.681 . . . . 75.420000000000002 112.015 176.624 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -84.49 -4.11 58.76 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 122.512 0.325 . . . . 70.310000000000002 111.707 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 59.48 29.28 18.82 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.785 1.234 . . . . 73.340000000000003 111.776 178.741 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -79.95 86.13 5.49 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.001 1.32 . . . . 61.109999999999999 107.838 176.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.87 -36.86 77.78 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.317 1.047 . . . . 74.219999999999999 112.884 -175.851 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -60.93 -57.44 12.64 Favored 'General case' 0 C--N 1.352 0.682 0 O-C-N 123.712 0.633 . . . . 72.409999999999997 110.074 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -65.75 -34.48 88.93 Favored Glycine 0 C--N 1.337 0.611 0 O-C-N 124.309 1.006 . . . . 70.200000000000003 113.233 -178.085 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 63.7 tp -67.23 -40.98 86.41 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.169 0.588 . . . . 72.200000000000003 110.368 178.259 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 44.8 ttm180 -68.54 -36.99 79.57 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.186 0.994 . . . . 74.239999999999995 110.207 177.273 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.451 ' HG2' ' CZ ' ' A' ' 29' ' ' TYR . 60.6 ttm-85 -73.8 -36.26 64.98 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 114.333 -1.303 . . . . 74.109999999999999 110.253 -177.312 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.483 ' O ' ' HB2' ' A' ' 71' ' ' LEU . . . -75.2 -41.11 58.53 Favored 'General case' 0 C--O 1.219 -0.541 0 CA-C-N 115.274 -0.875 . . . . 41.340000000000003 110.185 179.187 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.33 -45.82 92.84 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 124.466 1.104 . . . . 45.219999999999999 111.182 178.452 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.404 ' HB3' ' HE2' ' A' ' 69' ' ' LYS . 34.1 ttpt -61.6 -51.04 70.17 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 114.136 -1.393 . . . . 75.319999999999993 110.845 -179.082 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 50.4 m -70.14 -28.25 65.2 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.607 0.763 . . . . 73.230000000000004 111.644 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.483 ' HB2' ' O ' ' A' ' 67' ' ' ALA . 0.6 OUTLIER -60.44 -56.13 25.15 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.622 0.769 . . . . 72.230000000000004 109.943 -176.507 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.534 ' HA ' HD12 ' A' ' 75' ' ' ILE . 25.2 pttm -63.59 -31.3 72.43 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 124.06 0.85 . . . . 74.230000000000004 111.994 -173.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.533 ' HG3' ' HG3' ' A' ' 72' ' ' LYS . 41.6 mt-10 -87.26 -22.31 25.26 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.692 0.797 . . . . 71.019999999999996 111.554 -176.006 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.02 -31.31 61.34 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 110.014 -0.365 . . . . 73.340000000000003 110.014 170.479 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.844 HD13 ' HA ' ' A' ' 88' ' ' LYS . 70.2 mt -66.43 -42.08 89.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 124.185 0.994 . . . . 71.140000000000001 111.824 179.234 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 82.6 p -70.0 -16.38 63.17 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 116.187 -0.46 . . . . 74.349999999999994 110.631 177.183 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -99.64 -0.08 40.99 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 124.238 1.015 . . . . 64.540000000000006 112.192 179.012 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 59.3 mt . . . . . 0 N--CA 1.489 1.487 0 C-N-CA 122.987 0.515 . . . . 73.319999999999993 110.587 178.363 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 . . . . . 0 CA--C 1.548 0.896 0 N-CA-C 110.377 -0.231 . . . . 64.420000000000002 110.377 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -76.08 -39.38 55.48 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 122.922 0.489 . . . . 51.399999999999999 111.726 -171.492 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.844 ' HA ' HD13 ' A' ' 75' ' ' ILE . 14.9 tmtt? -70.63 -32.58 69.95 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.424 0.689 . . . . 71.219999999999999 111.457 -175.649 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -65.24 -27.44 68.66 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.809 0.843 . . . . 53.109999999999999 112.004 178.357 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 39.5 mtm -62.53 -34.95 77.94 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.387 0.675 . . . . 52.219999999999999 111.746 176.741 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.427 ' O ' ' HG2' ' A' ' 95' ' ' GLU . . . -62.44 -42.84 99.75 Favored 'General case' 0 C--N 1.348 0.508 0 O-C-N 123.59 0.556 . . . . 63.439999999999998 109.842 174.111 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.511 ' O ' ' HG2' ' A' ' 96' ' ' GLU . 7.7 mtpm? -63.58 -35.55 80.89 Favored 'General case' 0 C--N 1.353 0.759 0 O-C-N 124.356 1.035 . . . . 74.109999999999999 111.191 178.585 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -60.62 -49.96 75.42 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.26 0.624 . . . . 72.319999999999993 110.474 174.469 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.83 -29.53 70.49 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 114.82 -1.082 . . . . 74.209999999999994 111.628 -178.34 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 91' ' ' ALA . 75.6 mm-40 -60.95 -51.55 68.79 Favored 'General case' 0 C--N 1.357 0.911 0 C-N-CA 123.225 0.61 . . . . 73.010000000000005 110.224 171.185 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.511 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 23.6 mm-40 -63.46 -41.74 98.62 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 115.422 -0.808 . . . . 74.209999999999994 111.593 -174.008 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 48.1 m0 -63.81 -46.31 85.72 Favored 'General case' 0 C--N 1.345 0.409 0 O-C-N 124.086 0.866 . . . . 72.25 110.11 179.336 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 47.4 tp -63.48 -48.32 78.14 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 124.12 0.888 . . . . 74.120000000000005 111.763 -176.029 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -66.01 -36.37 83.09 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.001 0.52 . . . . 71.150000000000006 111.259 -177.089 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.38 -29.6 62.73 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 116.025 -0.534 . . . . 43.310000000000002 110.818 178.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 . . . . . 0 N--CA 1.482 1.164 0 C-N-CA 122.965 0.506 . . . . 62.530000000000001 110.72 173.29 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 4.1 mpp? . . . . . 0 CA--C 1.562 1.437 0 CA-C-O 118.955 -0.545 . . . . 60.240000000000002 109.725 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.76 -80.4 0.05 OUTLIER Glycine 0 C--N 1.368 2.342 0 C-N-CA 124.177 0.894 . . . . 40.140000000000001 114.338 -177.61 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 28.0 mmt180 -55.1 -31.12 60.98 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 125.399 1.48 . . . . 72.109999999999999 113.184 -175.569 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.7 -37.25 83.47 Favored 'General case' 0 CA--C 1.551 0.996 0 CA-C-O 119.025 -0.512 . . . . 73.209999999999994 112.021 -176.526 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.717 HD23 HD12 ' A' ' 31' ' ' ILE . 15.4 mt -70.35 -33.72 71.79 Favored 'General case' 0 N--CA 1.491 1.575 0 CA-C-N 118.123 0.42 . . . . 64.409999999999997 111.451 176.115 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -60.8 -42.31 97.37 Favored 'General case' 0 CA--C 1.548 0.866 0 O-C-N 123.799 0.687 . . . . 75.420000000000002 110.11 178.143 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -66.63 -35.65 80.68 Favored 'General case' 0 N--CA 1.483 1.214 0 O-C-N 123.655 0.597 . . . . 63.0 111.688 178.299 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.717 HD12 HD23 ' A' ' 28' ' ' LEU . 91.9 mt -64.58 -42.54 95.43 Favored 'Isoleucine or valine' 0 C--N 1.354 0.775 0 N-CA-C 109.223 -0.658 . . . . 60.409999999999997 109.223 177.438 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.94 -40.6 99.49 Favored Glycine 0 C--N 1.353 1.527 0 CA-C-N 115.35 -0.841 . . . . 64.409999999999997 112.924 178.502 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.2 mt -57.65 -46.72 83.84 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.305 0.642 . . . . 71.109999999999999 110.298 177.005 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -61.47 -42.16 98.35 Favored 'General case' 0 N--CA 1.476 0.854 0 O-C-N 124.114 0.884 . . . . 75.219999999999999 111.419 179.128 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.444 ' HG2' ' O ' ' A' ' 31' ' ' ILE . 75.6 mmtt -61.23 -45.48 94.36 Favored 'General case' 0 N--CA 1.478 0.948 0 O-C-N 123.749 0.655 . . . . 72.5 110.304 179.146 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -65.22 -34.9 79.46 Favored 'General case' 0 N--CA 1.482 1.134 0 O-C-N 123.913 0.758 . . . . 74.140000000000001 110.394 -177.253 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.19 -28.22 63.06 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.733 0.813 . . . . 71.510000000000005 112.124 177.05 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 78.4 mtm -85.22 -0.96 56.3 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.339 0.656 . . . . 73.420000000000002 111.468 176.32 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.76 1.33 89.3 Favored Glycine 0 C--N 1.355 1.595 0 O-C-N 122.966 0.167 . . . . 65.340000000000003 113.051 -176.382 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -84.74 61.85 7.02 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.697 1.199 . . . . 62.149999999999999 109.342 177.539 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.506 ' HB1' ' O ' ' A' ' 74' ' ' ALA . . . -67.74 -19.44 65.13 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 114.021 -1.445 . . . . 72.030000000000001 112.351 -173.14 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 25.4 tpt85 -66.03 -51.9 54.09 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.745 0.818 . . . . 50.119999999999997 110.343 176.12 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -71.3 -31.6 67.62 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 116.457 -0.338 . . . . 74.420000000000002 110.384 176.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.35 -55.25 37.27 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 123.275 0.359 . . . . 60.240000000000002 110.421 178.607 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.42 -44.11 84.36 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 124.675 1.234 . . . . 60.32 111.722 -175.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.466 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 12.0 pt-20 -71.68 -35.38 70.27 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 119.199 -0.429 . . . . 65.049999999999997 111.566 -177.838 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.446 ' CD1' HD22 ' A' ' 28' ' ' LEU . 19.1 m-85 -69.15 -31.89 70.86 Favored 'General case' 0 N--CA 1.484 1.226 0 CA-C-N 118.353 0.524 . . . . 74.430000000000007 111.621 178.83 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -66.76 -38.09 85.9 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 123.907 0.754 . . . . 71.319999999999993 110.007 170.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -68.95 -46.66 67.63 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.659 0.784 . . . . 64.099999999999994 111.994 -178.53 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.466 ' HG3' ' O ' ' A' ' 46' ' ' GLU . 61.9 mtt-85 -62.96 -42.68 99.89 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.239 1.015 . . . . 65.420000000000002 109.684 -178.088 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.23 -39.73 89.78 Favored 'General case' 0 C--N 1.351 0.664 0 CA-C-N 114.485 -1.234 . . . . 71.340000000000003 110.176 175.555 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.6 -32.14 73.09 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.642 0.777 . . . . 73.219999999999999 112.017 -177.537 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 84.3 mt -62.49 -39.54 84.81 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.267 0 C-N-CA 123.556 0.742 . . . . 62.409999999999997 110.336 174.668 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.476 ' HA ' ' HE3' ' A' ' 57' ' ' LYS . 40.4 t -72.76 -37.72 56.04 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.596 0 C-N-CA 123.938 0.895 . . . . 72.019999999999996 110.442 -179.039 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -72.07 -28.36 63.27 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 115.833 -0.621 . . . . 75.409999999999997 110.762 175.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -75.17 -48.52 23.21 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.385 0.674 . . . . 73.109999999999999 111.06 -179.499 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.476 ' HE3' ' HA ' ' A' ' 54' ' ' VAL . 18.1 ptpt -63.34 -35.28 79.87 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 116.098 -0.501 . . . . 63.299999999999997 111.514 -178.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -86.31 -10.08 55.17 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.045 0.538 . . . . 73.530000000000001 111.296 176.325 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 65.62 29.22 11.04 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 124.386 1.075 . . . . 74.109999999999999 112.471 177.597 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -80.06 94.5 5.96 Favored 'General case' 0 C--N 1.346 0.449 0 N-CA-C 108.565 -0.902 . . . . 73.109999999999999 108.565 172.637 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 20.5 p -63.37 -27.97 69.68 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 114.879 -1.055 . . . . 51.130000000000003 112.283 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -64.79 -57.69 8.23 Favored 'General case' 0 C--N 1.35 0.618 0 O-C-N 123.9 0.75 . . . . 74.299999999999997 110.08 -176.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -67.8 -36.74 87.66 Favored Glycine 0 C--N 1.342 0.863 0 O-C-N 124.454 1.096 . . . . 64.430000000000007 112.894 178.305 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 61.2 tp -62.43 -36.76 83.41 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 123.366 0.666 . . . . 72.310000000000002 110.594 178.206 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 37.4 ttt180 -72.48 -43.65 63.4 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.833 0.853 . . . . 62.539999999999999 110.039 178.634 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.7 mmt180 -59.25 -44.1 92.39 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 124.049 0.843 . . . . 63.229999999999997 110.919 177.533 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.501 ' O ' ' HB2' ' A' ' 71' ' ' LEU . . . -71.36 -45.32 63.19 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 115.057 -0.974 . . . . 72.030000000000001 110.287 -178.059 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.43 -43.66 96.83 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.665 0.786 . . . . 55.149999999999999 111.95 -178.311 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.466 ' O ' ' HG2' ' A' ' 73' ' ' GLU . 11.1 tmtt? -66.42 -51.56 55.67 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 115.027 -0.988 . . . . 72.439999999999998 108.698 -177.383 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.2 t -67.41 -27.88 67.45 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 123.274 0.629 . . . . 74.5 111.293 -177.439 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.501 ' HB2' ' O ' ' A' ' 67' ' ' ALA . 1.5 tt -58.99 -56.53 21.01 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 124.563 1.145 . . . . 72.230000000000004 109.984 -178.379 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.552 ' HA ' HD12 ' A' ' 75' ' ' ILE . 14.4 ptmm? -68.49 -30.36 69.18 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 115.506 -0.77 . . . . 60.030000000000001 111.765 -177.027 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.466 ' HG2' ' O ' ' A' ' 69' ' ' LYS . 11.2 mm-40 -72.65 -26.77 61.77 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.396 0.678 . . . . 73.319999999999993 111.275 178.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.506 ' O ' ' HB1' ' A' ' 41' ' ' ALA . . . -71.96 -39.59 69.25 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-O 120.914 0.388 . . . . 73.239999999999995 110.003 172.188 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.748 HD13 ' HA ' ' A' ' 88' ' ' LYS . 77.9 mt -64.93 -32.22 57.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 C-N-CA 124.018 0.927 . . . . 74.120000000000005 112.99 -174.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 63.1 p -64.25 -20.51 66.1 Favored 'General case' 0 CA--C 1.554 1.123 0 CA-C-O 120.825 0.345 . . . . 74.109999999999999 111.286 175.643 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -104.59 4.16 32.54 Favored 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 124.185 0.994 . . . . 73.109999999999999 112.48 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 64.6 mt . . . . . 0 N--CA 1.488 1.428 0 N-CA-C 109.426 -0.583 . . . . 75.150000000000006 109.426 174.911 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 . . . . . 0 C--O 1.246 0.885 0 N-CA-C 111.568 0.21 . . . . 75.310000000000002 111.568 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.449 ' HA ' ' HE2' ' A' ' 90' ' ' MET . . . -65.63 -35.07 79.74 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 112.655 0.613 . . . . 73.0 112.655 -166.165 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.748 ' HA ' HD13 ' A' ' 75' ' ' ILE . 55.1 tttp -65.38 -37.94 88.51 Favored 'General case' 0 C--N 1.353 0.755 0 O-C-N 123.427 0.454 . . . . 75.209999999999994 111.003 -179.681 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -66.39 -33.13 75.02 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 123.624 0.77 . . . . 75.25 109.502 176.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.449 ' HE2' ' HA ' ' A' ' 87' ' ' ALA . 58.9 mtm -69.41 -32.47 71.47 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.104 0.562 . . . . 63.409999999999997 111.266 178.283 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.41 ' O ' ' HG2' ' A' ' 95' ' ' GLU . . . -64.3 -38.02 89.54 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 122.359 0.263 . . . . 42.5 110.449 169.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.444 ' O ' ' HG2' ' A' ' 96' ' ' GLU . 51.9 mtpt -63.89 -37.82 88.82 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 123.822 0.701 . . . . 71.319999999999993 110.465 178.359 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 39.4 mmtm -63.34 -43.15 98.55 Favored 'General case' 0 N--CA 1.481 1.111 0 O-C-N 123.69 0.619 . . . . 60.210000000000001 110.188 174.383 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.34 -31.73 73.0 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.023 -0.989 . . . . 73.109999999999999 111.328 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.482 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 68.1 mm-40 -64.33 -51.44 63.42 Favored 'General case' 0 C--N 1.359 1.01 0 O-C-N 123.754 0.659 . . . . 72.200000000000003 109.247 172.269 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 28.3 mm-40 -55.94 -46.48 78.51 Favored 'General case' 0 N--CA 1.479 1.009 0 O-C-N 124.098 0.874 . . . . 71.310000000000002 111.36 -176.17 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 47.9 m0 -66.43 -46.68 75.66 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 123.95 0.781 . . . . 64.430000000000007 111.026 -178.222 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 34.2 tp -60.86 -41.57 96.19 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 124.032 0.833 . . . . 60.140000000000001 110.953 -177.559 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.482 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 63.9 mm-40 -75.6 -30.96 59.76 Favored 'General case' 0 N--CA 1.479 1.017 0 O-C-N 123.858 0.724 . . . . 73.310000000000002 110.693 179.589 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.59 -33.55 76.18 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.16 0.584 . . . . 72.319999999999993 110.498 178.169 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 . . . . . 0 CA--C 1.544 0.713 0 CA-C-N 115.447 -0.797 . . . . 74.239999999999995 112.131 178.637 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 3.5 mpp? . . . . . 0 CA--C 1.555 1.154 0 N-CA-C 110.108 -0.33 . . . . 63.420000000000002 110.108 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.55 -64.6 4.26 Favored Glycine 0 C--N 1.353 1.516 0 N-CA-C 110.39 -1.084 . . . . 22.440000000000001 110.39 -170.217 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 36.9 ptt180 -55.12 -25.87 34.53 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.431 1.093 . . . . 73.219999999999999 112.311 173.177 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.17 -50.39 73.85 Favored 'General case' 0 C--N 1.351 0.673 0 C-N-CA 123.262 0.625 . . . . 53.420000000000002 110.347 173.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.589 HD23 HD12 ' A' ' 31' ' ' ILE . 75.7 mt -67.85 -35.84 79.28 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 122.426 0.29 . . . . 75.040000000000006 111.245 177.212 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -56.81 -44.66 82.2 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 122.955 0.502 . . . . 75.450000000000003 110.536 176.201 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -68.83 -35.65 77.23 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 115.697 -0.683 . . . . 73.329999999999998 110.962 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.589 HD12 HD23 ' A' ' 28' ' ' LEU . 88.5 mt -62.64 -38.96 82.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 123.114 0.565 . . . . 63.140000000000001 109.839 173.093 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.67 -38.22 95.91 Favored Glycine 0 C--N 1.349 1.269 0 O-C-N 124.171 0.919 . . . . 51.119999999999997 112.107 177.029 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 93.4 mt -62.35 -42.36 99.33 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 122.898 0.479 . . . . 73.109999999999999 110.103 177.111 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -64.88 -46.9 79.83 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 124.172 0.92 . . . . 73.420000000000002 110.837 179.202 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -58.03 -50.2 74.24 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.412 0.685 . . . . 71.519999999999996 110.339 178.721 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -63.03 -36.56 83.99 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.379 1.072 . . . . 72.439999999999998 110.489 -176.723 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -67.56 -33.8 75.78 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.905 1.282 . . . . 73.349999999999994 111.249 177.068 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 75.1 mtm -85.42 -0.05 53.68 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.611 0.765 . . . . 53.439999999999998 111.572 177.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 95.46 -8.86 69.23 Favored Glycine 0 C--N 1.35 1.325 0 C-N-CA 122.978 0.323 . . . . 71.230000000000004 112.977 178.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 51.7 mttm -81.11 55.68 2.58 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.818 1.247 . . . . 75.420000000000002 110.929 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.77 -19.24 65.08 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.022 0.529 . . . . 65.349999999999994 111.654 179.386 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.536 ' NH2' ' HB2' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -63.85 -56.34 16.13 Favored 'General case' 0 C--N 1.358 0.945 0 N-CA-C 108.044 -1.095 . . . . 63.100000000000001 108.044 172.624 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -66.46 -34.17 77.33 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 115.081 -0.963 . . . . 73.510000000000005 110.552 -178.442 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.81 -43.34 98.32 Favored 'General case' 0 C--N 1.352 0.713 0 C-N-CA 124.234 1.014 . . . . 72.140000000000001 111.296 179.245 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.09 -36.69 73.22 Favored 'General case' 0 C--N 1.352 0.675 0 O-C-N 124.566 1.166 . . . . 51.219999999999999 111.63 -179.276 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -59.36 -53.23 60.61 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.682 0.793 . . . . 71.430000000000007 110.812 174.241 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.542 ' HD1' HD22 ' A' ' 28' ' ' LEU . 72.2 m-85 -66.19 -34.08 77.22 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 115.298 -0.865 . . . . 63.340000000000003 112.385 -175.008 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -69.22 -34.72 75.29 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.074 0.549 . . . . 72.230000000000004 110.769 177.569 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -71.9 -48.51 45.09 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.016 0.526 . . . . 72.209999999999994 110.605 -179.417 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 72.8 mtp180 -63.41 -31.53 72.71 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 124.259 0.974 . . . . 65.510000000000005 110.764 179.261 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.59 -48.53 66.57 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 123.606 0.762 . . . . 72.340000000000003 109.912 173.542 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.4 -33.29 72.27 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 124.225 0.953 . . . . 73.150000000000006 111.965 -177.378 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 96.7 mt -57.32 -45.46 85.16 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 C-N-CA 123.642 0.777 . . . . 74.409999999999997 110.621 175.457 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 25.8 t -62.43 -49.9 82.05 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 123.661 0.784 . . . . 74.409999999999997 110.266 -177.163 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -67.73 -28.57 67.76 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 115.537 -0.756 . . . . 74.200000000000003 111.979 -179.086 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -68.63 -47.58 66.26 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 122.919 0.488 . . . . 72.010000000000005 110.805 178.02 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -60.24 -40.55 90.64 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.326 0.651 . . . . 62.520000000000003 111.428 175.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -81.59 -3.37 53.15 Favored 'General case' 0 C--O 1.24 0.572 0 CA-C-N 115.554 -0.748 . . . . 71.109999999999999 111.713 178.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 59.23 24.53 12.98 Favored 'General case' 0 C--N 1.361 1.08 0 C-N-CA 125.333 1.453 . . . . 72.140000000000001 112.566 174.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -86.04 100.74 12.37 Favored 'General case' 0 C--O 1.24 0.574 0 N-CA-C 108.288 -1.004 . . . . 74.310000000000002 108.288 177.66 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 66.6 p -67.68 -25.13 65.54 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.099 0.96 . . . . 52.149999999999999 112.475 -174.05 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -65.95 -58.15 6.2 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.309 0.643 . . . . 71.310000000000002 110.545 -177.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -70.31 -32.06 68.61 Favored Glycine 0 C--N 1.346 1.088 0 O-C-N 124.287 0.992 . . . . 74.150000000000006 112.628 -177.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 53.6 tp -65.08 -47.09 78.51 Favored 'General case' 0 C--N 1.349 0.56 0 C-N-CA 123.317 0.647 . . . . 53.109999999999999 110.06 176.473 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 -67.07 -39.19 86.79 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.899 0.879 . . . . 61.439999999999998 110.209 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 51.6 ttm-85 -61.42 -47.15 87.08 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.466 1.106 . . . . 75.140000000000001 110.181 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.508 ' O ' ' HB2' ' A' ' 71' ' ' LEU . . . -75.05 -31.92 61.41 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 115.236 -0.893 . . . . 72.239999999999995 111.475 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.12 -46.17 71.63 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.825 0.85 . . . . 73.439999999999998 111.405 -179.316 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.423 ' NZ ' ' HB3' ' A' ' 69' ' ' LYS . 9.4 mtpm? -67.22 -49.76 63.34 Favored 'General case' 0 C--N 1.342 0.266 0 CA-C-N 114.961 -1.018 . . . . 63.5 110.38 178.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.9 t -63.19 -29.58 70.9 Favored 'General case' 0 C--N 1.355 0.839 0 O-C-N 124.132 0.895 . . . . 63.420000000000002 110.933 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.508 ' HB2' ' O ' ' A' ' 67' ' ' ALA . 1.4 tt -61.16 -55.4 32.69 Favored 'General case' 0 C--N 1.361 1.069 0 N-CA-C 108.654 -0.869 . . . . 72.400000000000006 108.654 173.637 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.8 tmtt? -60.87 -36.33 78.91 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 124.817 1.247 . . . . 65.0 111.468 -178.657 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -70.94 -31.02 67.49 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.195 0.998 . . . . 70.510000000000005 110.323 178.333 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.434 ' O ' HG13 ' A' ' 78' ' ' ILE . . . -72.98 -33.07 65.6 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.132 0.573 . . . . 70.239999999999995 110.778 173.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.653 HG21 ' HG2' ' A' ' 88' ' ' LYS . 32.4 mm -62.82 -51.34 73.16 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 O-C-N 123.873 0.733 . . . . 75.120000000000005 111.113 -177.36 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 33.7 p -74.01 -4.67 36.76 Favored 'General case' 0 CA--C 1.552 1.023 0 CA-C-N 114.76 -1.109 . . . . 75.209999999999994 111.715 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -107.05 -4.89 18.48 Favored 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 124.107 0.963 . . . . 50.030000000000001 112.543 174.39 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' ' 74' ' ' ALA . 63.6 mt . . . . . 0 N--CA 1.493 1.723 0 C-N-CA 123.064 0.546 . . . . 75.030000000000001 111.763 -175.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 . . . . . 0 N--CA 1.48 1.046 0 CA-C-O 120.973 0.416 . . . . 71.109999999999999 111.673 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.536 ' HB2' ' NH2' ' A' ' 42' ' ' ARG . . . -77.29 -31.48 54.83 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.415 -0.812 . . . . 61.350000000000001 111.65 -178.261 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.653 ' HG2' HG21 ' A' ' 75' ' ' ILE . 6.8 tmtt? -63.4 -37.3 86.77 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.327 0.651 . . . . 73.040000000000006 109.506 -179.617 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -60.29 -38.57 84.03 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.81 0.844 . . . . 75.519999999999996 110.665 176.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.444 ' HE2' ' HA ' ' A' ' 87' ' ' ALA . 34.7 mtm -70.88 -35.64 72.43 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 115.258 -0.883 . . . . 62.530000000000001 110.758 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.62 -33.33 75.37 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.549 0.74 . . . . 74.120000000000005 110.696 176.459 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -63.25 -47.35 82.82 Favored 'General case' 0 C--N 1.358 0.947 0 O-C-N 123.844 0.715 . . . . 72.349999999999994 109.674 174.182 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 18.7 mmtp -60.7 -48.11 83.24 Favored 'General case' 0 N--CA 1.481 1.095 0 O-C-N 123.992 0.807 . . . . 55.530000000000001 111.995 -177.592 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.04 -34.11 75.64 Favored 'General case' 0 CA--C 1.55 0.969 0 O-C-N 124.063 0.852 . . . . 52.409999999999997 111.628 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -68.65 -41.97 78.59 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 124.696 1.198 . . . . 73.430000000000007 109.547 176.595 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -69.69 -32.54 71.21 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 124.186 0.995 . . . . 73.340000000000003 111.872 -178.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 53.3 m0 -66.54 -41.91 87.98 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 123.863 0.727 . . . . 74.25 109.494 176.693 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 50.3 tp -60.32 -41.71 94.09 Favored 'General case' 0 CA--C 1.55 0.966 0 O-C-N 124.156 0.91 . . . . 75.239999999999995 110.835 175.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -62.46 -44.97 95.12 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.644 0.778 . . . . 74.25 111.061 176.594 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.48 -31.05 70.94 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.027 0.931 . . . . 62.25 111.513 -175.553 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 . . . . . 0 N--CA 1.471 0.611 0 C-N-CA 123.494 0.717 . . . . 74.200000000000003 110.855 176.447 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 1.6 pmm? . . . . . 0 CA--C 1.543 0.701 0 N-CA-C 109.116 -0.698 . . . . 71.019999999999996 109.116 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.8 -58.3 4.98 Favored Glycine 0 C--N 1.341 0.822 0 CA-C-N 116.258 -0.428 . . . . 52.439999999999998 112.591 -177.185 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 48.1 ttt85 -61.94 -30.13 70.7 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.873 0.869 . . . . 74.129999999999995 111.951 -174.102 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.43 -33.74 65.08 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 122.744 0.418 . . . . 50.329999999999998 110.86 178.649 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.497 ' O ' ' HB3' ' A' ' 47' ' ' TYR . 69.7 mt -65.19 -42.05 93.99 Favored 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 109.754 -0.462 . . . . 74.430000000000007 109.754 172.217 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.425 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 58.8 t80 -55.52 -43.65 75.9 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.633 0.773 . . . . 65.430000000000007 109.929 174.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.43 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 91.7 m-20 -65.03 -42.13 94.62 Favored 'General case' 0 C--N 1.347 0.488 0 CA-C-N 115.741 -0.663 . . . . 74.120000000000005 111.393 178.693 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.442 HD12 HD23 ' A' ' 28' ' ' LEU . 96.6 mt -59.61 -41.54 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 O-C-N 123.727 0.642 . . . . 63.0 109.999 175.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.85 -41.37 99.88 Favored Glycine 0 C--N 1.344 1.027 0 O-C-N 124.188 0.93 . . . . 73.209999999999994 112.48 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 29' ' ' TYR . 88.0 mt -59.06 -39.21 81.37 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.151 0.58 . . . . 72.439999999999998 110.346 178.014 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.43 ' HG2' ' O ' ' A' ' 30' ' ' ASN . 22.6 mm-40 -77.28 -38.72 50.26 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 123.802 0.689 . . . . 74.109999999999999 111.228 -178.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -57.88 -44.03 86.42 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.214 0.606 . . . . 71.239999999999995 109.717 176.286 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -61.8 -30.32 70.74 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-N 114.97 -1.014 . . . . 73.219999999999999 110.664 -178.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.424 ' HG2' ' O ' ' A' ' 33' ' ' LEU . 46.1 mmtm -76.3 -33.73 59.07 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.243 0.617 . . . . 71.409999999999997 110.393 178.025 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 89.7 mtp -75.84 -6.8 52.48 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.673 0.789 . . . . 72.319999999999993 111.634 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 96.95 -5.53 63.7 Favored Glycine 0 C--N 1.353 1.514 0 C-N-CA 123.222 0.439 . . . . 73.140000000000001 112.043 -177.319 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 47.6 mttm -87.39 62.63 7.28 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.66 1.184 . . . . 62.049999999999997 110.604 -177.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.89 -21.62 60.88 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 122.881 0.472 . . . . 53.439999999999998 111.773 -177.674 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.474 ' HB2' HG23 ' A' ' 78' ' ' ILE . 5.7 tmm_? -72.66 -48.39 39.58 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.536 0.735 . . . . 74.439999999999998 109.888 176.188 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -61.22 -42.33 98.42 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 109.409 -0.589 . . . . 74.319999999999993 109.409 174.555 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.89 -47.83 70.71 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 124.417 1.073 . . . . 61.409999999999997 110.678 177.127 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.21 -38.71 77.3 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 124.459 1.1 . . . . 72.239999999999995 111.439 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.482 ' HB3' ' NH1' ' A' ' 50' ' ' ARG . 62.8 mt-10 -68.63 -37.18 79.52 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.252 0.621 . . . . 74.349999999999994 111.615 178.364 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.497 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 51.6 m-85 -74.29 -31.67 62.6 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.244 0.618 . . . . 75.519999999999996 111.478 179.506 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -71.15 -34.59 71.13 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 123.619 0.574 . . . . 74.209999999999994 109.968 174.054 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.453 ' O ' HG13 ' A' ' 53' ' ' ILE . 60.7 t80 -68.94 -52.49 28.62 Favored 'General case' 0 C--N 1.347 0.459 0 CA-C-N 116.055 -0.521 . . . . 74.200000000000003 110.644 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.482 ' NH1' ' HB3' ' A' ' 46' ' ' GLU . 64.7 mtt85 -67.19 -30.03 69.86 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.71 0.804 . . . . 54.030000000000001 111.353 -177.817 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.04 -51.22 67.56 Favored 'General case' 0 C--O 1.238 0.457 0 O-C-N 123.68 0.613 . . . . 13.539999999999999 109.553 169.677 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.415 ' HB1' HD12 ' A' ' 64' ' ' LEU . . . -59.76 -33.39 71.61 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 114.878 -1.055 . . . . 75.329999999999998 112.062 -176.696 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.466 HD12 ' HA ' ' A' ' 50' ' ' ARG . 90.6 mt -57.95 -49.45 81.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 123.694 0.798 . . . . 73.209999999999994 110.439 176.558 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 82.4 t -60.92 -47.09 95.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 123.194 0.598 . . . . 75.540000000000006 110.944 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -65.03 -29.06 69.94 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 115.877 -0.601 . . . . 74.209999999999994 111.723 -179.382 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -74.56 -46.02 41.59 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.233 0.613 . . . . 73.010000000000005 110.618 178.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -55.41 -44.2 75.99 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.486 0.715 . . . . 72.430000000000007 111.053 172.539 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -78.48 -13.84 59.65 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 115.249 -0.887 . . . . 54.130000000000003 110.722 -179.238 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 61.53 28.2 17.53 Favored 'General case' 0 C--N 1.354 0.786 0 C-N-CA 124.791 1.237 . . . . 75.409999999999997 112.064 -178.314 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -81.2 88.63 6.02 Favored 'General case' 0 C--O 1.24 0.562 0 N-CA-C 108.059 -1.089 . . . . 72.430000000000007 108.059 170.482 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 23.5 m -57.93 -28.58 64.41 Favored 'General case' 0 CA--C 1.55 0.98 0 CA-C-N 114.354 -1.294 . . . . 62.439999999999998 111.969 -178.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -64.65 -58.41 6.39 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.097 0.959 . . . . 65.439999999999998 111.483 -178.135 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -71.22 -31.4 66.32 Favored Glycine 0 C--N 1.342 0.903 0 CA-C-N 115.636 -0.711 . . . . 64.430000000000007 112.508 -178.547 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.415 HD12 ' HB1' ' A' ' 52' ' ' ALA . 62.1 tp -60.36 -42.47 95.82 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.159 0.584 . . . . 72.230000000000004 109.62 172.629 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -68.8 -38.38 79.9 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 124.038 0.836 . . . . 54.340000000000003 110.342 -179.119 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 26.9 mmt180 -61.25 -46.93 88.34 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 123.667 0.604 . . . . 74.439999999999998 110.681 176.038 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -73.28 -32.95 64.97 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.558 0.743 . . . . 65.239999999999995 111.295 -178.039 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.88 -45.19 62.14 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.538 0.735 . . . . 71.019999999999996 110.602 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -64.48 -41.65 96.36 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 124.506 1.129 . . . . 71.5 110.153 -179.334 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 65.7 m -68.1 -33.79 75.18 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 115.745 -0.661 . . . . 51.450000000000003 111.475 177.299 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.25 -54.35 21.75 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.316 0.646 . . . . 62.130000000000003 110.492 -177.563 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -65.42 -32.25 73.78 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 115.328 -0.851 . . . . 74.420000000000002 112.138 -174.115 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -87.98 -15.69 35.77 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 122.735 0.414 . . . . 73.540000000000006 110.849 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.405 ' O ' HG13 ' A' ' 78' ' ' ILE . . . -73.75 -25.51 60.2 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 122.684 0.394 . . . . 70.120000000000005 110.853 175.018 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.579 HG21 ' HD3' ' A' ' 88' ' ' LYS . 37.9 mm -60.25 -42.62 91.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 O-C-N 124.111 0.882 . . . . 72.510000000000005 111.492 -175.159 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 39.7 p -70.87 -20.46 62.52 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 122.995 0.518 . . . . 54.43 111.864 -178.697 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.67 -14.01 33.09 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.553 0.741 . . . . 75.329999999999998 111.57 177.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.474 HG23 ' HB2' ' A' ' 42' ' ' ARG . 58.3 mt . . . . . 0 N--CA 1.48 1.052 0 C-N-CA 123.337 0.655 . . . . 71.219999999999999 110.159 178.72 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 . . . . . 0 CA--C 1.549 0.942 0 N-CA-C 111.864 0.32 . . . . 71.209999999999994 111.864 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.09 -31.07 67.34 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 122.438 0.295 . . . . 74.349999999999994 111.724 -178.018 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.579 ' HD3' HG21 ' A' ' 75' ' ' ILE . 55.8 tptt -58.11 -41.61 83.93 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 123.921 0.763 . . . . 63.310000000000002 110.218 175.816 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -69.71 -30.24 67.82 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 115.505 -0.77 . . . . 73.109999999999999 111.55 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 43.3 mtm -69.5 -39.16 77.76 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 122.779 0.432 . . . . 74.150000000000006 110.6 175.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.34 -38.5 84.0 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 115.572 -0.74 . . . . 64.510000000000005 110.312 175.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.467 ' HG3' ' O ' ' A' ' 88' ' ' LYS . 91.5 mttt -60.62 -45.96 92.06 Favored 'General case' 0 C--N 1.351 0.666 0 O-C-N 124.203 0.939 . . . . 74.239999999999995 110.332 176.126 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 18.6 mmtm -61.26 -40.76 95.29 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.43 0.692 . . . . 45.439999999999998 111.629 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.53 -39.17 90.09 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 123.991 0.807 . . . . 74.430000000000007 110.856 179.028 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -69.88 -40.17 75.87 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.599 0.759 . . . . 41.439999999999998 110.863 177.032 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.433 ' HG3' ' O ' ' A' ' 92' ' ' LYS . 47.5 mt-10 -62.71 -40.65 97.84 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.603 0.761 . . . . 73.420000000000002 110.703 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 51.6 m0 -66.03 -42.58 89.41 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.081 -0.963 . . . . 64.209999999999994 110.482 176.488 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 34.0 tp -62.85 -38.18 89.8 Favored 'General case' 0 CA--C 1.546 0.816 0 O-C-N 123.889 0.743 . . . . 60.43 110.769 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -73.48 -31.78 63.95 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.145 0.578 . . . . 62.399999999999999 110.84 177.325 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.29 -41.89 80.31 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.249 0.62 . . . . 63.420000000000002 110.921 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 . . . . . 0 N--CA 1.467 0.413 0 CA-C-N 115.636 -0.711 . . . . 70.109999999999999 110.3 177.533 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 12.7 mtm . . . . . 0 N--CA 1.475 0.781 0 N-CA-C 108.947 -0.76 . . . . 73.209999999999994 108.947 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.83 -58.63 4.91 Favored Glycine 0 C--N 1.352 1.421 0 N-CA-C 111.668 -0.573 . . . . 65.400000000000006 111.668 -179.539 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -55.85 -32.17 63.4 Favored 'General case' 0 C--N 1.348 0.543 0 C-N-CA 124.758 1.223 . . . . 74.239999999999995 110.035 168.47 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.477 ' O ' HG13 ' A' ' 31' ' ' ILE . . . -60.82 -53.37 58.12 Favored 'General case' 0 C--N 1.355 0.81 0 O-C-N 123.726 0.641 . . . . 74.109999999999999 110.774 175.36 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.564 ' HA ' HD12 ' A' ' 31' ' ' ILE . 19.5 mt -59.28 -40.0 84.74 Favored 'General case' 0 N--CA 1.495 1.804 0 C-N-CA 122.811 0.444 . . . . 73.209999999999994 111.433 177.816 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -62.73 -42.45 99.67 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.792 0.837 . . . . 72.230000000000004 110.654 178.733 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.476 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 5.0 t-20 -68.84 -38.28 79.72 Favored 'General case' 0 C--N 1.35 0.624 0 C-N-CA 123.827 0.851 . . . . 62.32 109.495 -175.183 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.564 HD12 ' HA ' ' A' ' 28' ' ' LEU . 32.7 mt -62.02 -41.99 93.16 Favored 'Isoleucine or valine' 0 C--N 1.357 0.893 0 O-C-N 124.177 0.923 . . . . 44.030000000000001 109.832 173.696 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.26 -37.91 92.52 Favored Glycine 0 C--N 1.354 1.529 0 O-C-N 123.863 0.727 . . . . 45.539999999999999 112.623 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 62.4 mt -63.46 -36.46 83.84 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.723 0.809 . . . . 71.239999999999995 110.203 175.643 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.476 ' HG2' ' O ' ' A' ' 30' ' ' ASN . 44.9 mm-40 -77.52 -30.59 52.97 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.349 1.06 . . . . 64.400000000000006 111.988 -179.092 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.416 ' HG2' ' O ' ' A' ' 31' ' ' ILE . 75.8 mmtt -67.99 -48.49 65.62 Favored 'General case' 0 C--N 1.345 0.406 0 N-CA-C 107.958 -1.127 . . . . 61.109999999999999 107.958 174.204 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 35.9 t-20 -60.7 -33.82 73.45 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 124.227 1.011 . . . . 62.009999999999998 110.226 178.188 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.9 ttmp? -59.13 -43.24 91.96 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.588 0.755 . . . . 64.109999999999999 110.339 175.156 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.409 ' HB2' ' HG2' ' A' ' 40' ' ' LYS . 73.2 mtm -80.04 -9.82 59.72 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 115.612 -0.722 . . . . 75.209999999999994 112.01 -178.426 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 90.49 8.39 66.01 Favored Glycine 0 C--N 1.342 0.889 0 N-CA-C 112.652 -0.179 . . . . 71.510000000000005 112.652 -175.525 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.409 ' HG2' ' HB2' ' A' ' 38' ' ' MET . 69.2 mmtt -81.31 80.29 7.75 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.826 0.85 . . . . 61.420000000000002 108.793 175.642 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.499 ' HB1' ' O ' ' A' ' 74' ' ' ALA . . . -78.48 -34.2 47.74 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.562 -0.745 . . . . 43.450000000000003 111.888 -173.073 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -65.45 -48.74 71.65 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.472 0.709 . . . . 74.299999999999997 109.612 176.083 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.43 ' O ' ' HD2' ' A' ' 47' ' ' TYR . 44.3 mt-10 -61.04 -46.85 89.03 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 124.037 0.835 . . . . 71.439999999999998 109.731 176.775 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.25 -49.83 66.07 Favored 'General case' 0 C--N 1.358 0.977 0 O-C-N 124.127 0.892 . . . . 21.440000000000001 110.666 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.91 -43.94 81.87 Favored 'General case' 0 CA--C 1.55 0.952 0 O-C-N 124.483 1.114 . . . . 45.240000000000002 112.023 -178.609 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -72.03 -38.7 69.51 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.104 0.562 . . . . 64.340000000000003 111.813 -178.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.43 ' HD2' ' O ' ' A' ' 43' ' ' GLU . 41.3 m-85 -67.75 -30.39 69.85 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.533 0.733 . . . . 65.310000000000002 110.469 177.023 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -75.33 -35.5 61.2 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.487 0.715 . . . . 72.219999999999999 110.972 174.33 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -70.08 -52.8 20.94 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 123.579 0.549 . . . . 73.239999999999995 110.55 -177.635 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.505 ' O ' HG23 ' A' ' 54' ' ' VAL . 61.6 mtp180 -61.09 -37.24 82.01 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 115.279 -0.873 . . . . 74.409999999999997 110.583 178.465 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.11 -47.13 87.17 Favored 'General case' 0 C--N 1.355 0.841 0 O-C-N 123.763 0.664 . . . . 64.010000000000005 110.312 173.044 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.08 -31.76 73.08 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.735 0.814 . . . . 33.200000000000003 111.621 -178.375 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 95.4 mt -62.7 -47.17 94.18 Favored 'Isoleucine or valine' 0 C--N 1.358 0.955 0 C-N-CA 123.435 0.694 . . . . 53.439999999999998 109.872 174.237 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 50' ' ' ARG . 47.8 t -68.89 -41.27 81.98 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.852 0 C-N-CA 123.506 0.722 . . . . 62.140000000000001 110.761 -177.534 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -62.07 -38.16 87.76 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.672 0.789 . . . . 72.420000000000002 110.353 176.53 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.445 ' CD1' ' HB3' ' A' ' 97' ' ' TRP . 50.0 t80 -69.58 -44.88 69.92 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.055 0.542 . . . . 73.329999999999998 111.235 179.565 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -54.54 -44.52 72.91 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 124.103 0.961 . . . . 75.540000000000006 111.865 174.097 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -83.84 -10.63 57.9 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 115.99 -0.55 . . . . 74.329999999999998 111.157 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 65.1 m-70 60.68 30.51 19.76 Favored 'General case' 0 C--N 1.355 0.81 0 C-N-CA 124.903 1.281 . . . . 71.219999999999999 111.705 -177.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -80.44 90.64 5.65 Favored 'General case' 0 C--O 1.244 0.8 0 N-CA-C 107.341 -1.355 . . . . 63.530000000000001 107.341 171.243 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 18.2 m -69.52 -26.12 64.37 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 114.597 -1.183 . . . . 61.43 111.761 -171.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -63.41 -52.11 62.95 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.298 0.639 . . . . 70.319999999999993 110.737 -177.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -67.7 -40.53 90.13 Favored Glycine 0 C--N 1.348 1.203 0 CA-C-N 115.052 -0.976 . . . . 64.420000000000002 112.179 178.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 62.2 tp -60.22 -36.92 78.79 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.615 1.166 . . . . 61.509999999999998 111.08 177.219 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 28.4 ttp180 -65.58 -51.2 61.54 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.634 1.174 . . . . 72.310000000000002 110.81 -179.321 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 48.0 ttt-85 -73.72 -30.43 62.84 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 114.75 -1.114 . . . . 71.319999999999993 110.063 -175.45 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.472 ' O ' ' HB2' ' A' ' 71' ' ' LEU . . . -69.95 -35.19 74.3 Favored 'General case' 0 C--N 1.353 0.746 0 C-N-CA 123.473 0.709 . . . . 70.25 111.107 177.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.1 -41.12 96.09 Favored 'General case' 0 N--CA 1.478 0.96 0 O-C-N 123.84 0.712 . . . . 72.420000000000002 111.402 178.407 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -75.85 -50.94 13.68 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 115.547 -0.752 . . . . 71.239999999999995 111.044 178.513 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 55.2 m -59.69 -30.05 68.51 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.238 0.615 . . . . 74.25 111.783 -176.67 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.472 ' HB2' ' O ' ' A' ' 67' ' ' ALA . 0.6 OUTLIER -60.83 -55.5 32.34 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 123.873 0.869 . . . . 75.430000000000007 109.543 178.182 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.617 ' HA ' HD12 ' A' ' 75' ' ' ILE . 18.6 ptpt -68.69 -29.61 68.1 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 112.289 0.477 . . . . 62.439999999999998 112.289 -175.574 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -70.3 -35.16 73.5 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.861 0.464 . . . . 64.230000000000004 110.608 177.677 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.499 ' O ' ' HB1' ' A' ' 41' ' ' ALA . . . -67.69 -38.31 83.52 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 116.13 -0.486 . . . . 63.109999999999999 110.334 172.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.869 HD13 ' HA ' ' A' ' 88' ' ' LYS . 64.6 mt -65.35 -41.4 91.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 123.562 0.745 . . . . 72.319999999999993 112.548 -177.681 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 73.1 p -62.48 -24.89 67.71 Favored 'General case' 0 CA--C 1.551 1.003 0 O-C-N 123.381 0.426 . . . . 75.219999999999999 110.836 176.586 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -89.81 -16.83 29.33 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.973 0.909 . . . . 75.230000000000004 112.394 178.695 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 69.3 mt . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.155 -0.683 . . . . 65.319999999999993 109.155 176.15 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 . . . . . 0 CA--C 1.539 0.521 0 N-CA-C 108.866 -0.79 . . . . 72.400000000000006 108.866 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -77.1 -25.84 52.68 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.561 0.745 . . . . 54.020000000000003 111.829 177.518 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.869 ' HA ' HD13 ' A' ' 75' ' ' ILE . 85.5 tttt -59.86 -41.57 91.78 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-O 121.797 0.808 . . . . 60.420000000000002 112.436 -172.298 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -73.66 -24.36 59.97 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 114.366 -1.288 . . . . 71.200000000000003 110.966 -178.196 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 28.3 mtm -61.37 -34.78 75.88 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 122.834 0.453 . . . . 64.019999999999996 111.302 172.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.444 ' HA ' HD13 ' A' ' 71' ' ' LEU . . . -60.94 -43.53 98.54 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.147 0.579 . . . . 23.32 110.303 175.154 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.528 ' O ' ' HG2' ' A' ' 96' ' ' GLU . 39.3 ttmt -58.19 -43.35 87.49 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 124.538 1.149 . . . . 55.109999999999999 110.366 176.374 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -58.8 -45.23 90.35 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.975 0.91 . . . . 75.430000000000007 112.008 178.312 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.79 -33.0 74.29 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.35 0.66 . . . . 65.200000000000003 110.784 178.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 40.7 mt-10 -74.66 -34.02 62.63 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.731 0.812 . . . . 72.340000000000003 111.538 175.615 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.528 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 10.4 mm-40 -58.95 -46.74 87.28 Favored 'General case' 0 N--CA 1.488 1.437 0 CA-C-O 121.761 0.791 . . . . 72.400000000000006 109.903 178.597 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' TRP . . . . . 0.445 ' HB3' ' CD1' ' A' ' 56' ' ' TYR . 22.9 m0 -68.66 -37.66 79.81 Favored 'General case' 0 C--N 1.34 0.189 0 CA-C-N 113.719 -1.582 . . . . 53.109999999999999 110.343 179.576 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 35.1 tp -63.01 -36.43 83.54 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 115.767 -0.651 . . . . 72.040000000000006 111.019 177.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.401 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 83.9 mm-40 -74.7 -30.62 61.61 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.148 0.579 . . . . 74.129999999999995 110.971 177.323 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.31 -34.35 78.13 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 123.649 0.593 . . . . 74.120000000000005 110.49 175.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 . . . . . 0 N--CA 1.474 0.771 0 C-N-CA 123.626 0.77 . . . . 75.040000000000006 110.747 176.812 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 21.6 mtm . . . . . 0 N--CA 1.476 0.829 0 N-CA-C 108.598 -0.89 . . . . 61.030000000000001 108.598 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.67 -68.14 3.42 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 118.718 0.69 . . . . 55.32 111.749 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -60.75 -23.08 64.68 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.543 1.137 . . . . 71.319999999999993 111.942 178.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.9 -45.91 89.15 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.099 0.56 . . . . 53.130000000000003 111.495 175.602 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.514 ' HA ' HD12 ' A' ' 31' ' ' ILE . 46.4 mt -62.65 -37.89 88.13 Favored 'General case' 0 N--CA 1.483 1.219 0 O-C-N 123.39 0.431 . . . . 74.329999999999998 111.113 174.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -57.16 -45.18 83.86 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 123.728 0.642 . . . . 74.230000000000004 111.091 -179.553 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -66.81 -34.73 78.45 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 122.935 0.494 . . . . 65.129999999999995 111.465 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.514 HD12 ' HA ' ' A' ' 28' ' ' LEU . 75.3 mt -64.76 -37.37 79.98 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 C-N-CA 123.544 0.738 . . . . 75.329999999999998 109.979 176.136 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -65.99 -41.66 95.14 Favored Glycine 0 C--N 1.352 1.419 0 CA-C-N 115.267 -0.879 . . . . 74.099999999999994 112.584 178.292 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.9 mt -58.71 -35.83 73.28 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.364 0.666 . . . . 71.219999999999999 110.761 177.309 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.508 ' HA ' ' HE2' ' A' ' 37' ' ' LYS . 51.4 mm-40 -68.82 -46.19 69.26 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 115.362 -0.836 . . . . 74.319999999999993 111.304 177.769 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm -61.89 -34.2 75.6 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.284 0.634 . . . . 74.200000000000003 111.697 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -67.07 -41.96 85.5 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.977 0.911 . . . . 72.409999999999997 110.308 -176.286 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.508 ' HE2' ' HA ' ' A' ' 34' ' ' GLU . 51.8 mtmt -62.73 -41.82 99.37 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 123.168 0.587 . . . . 71.430000000000007 110.649 176.212 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 73.2 mtm -80.06 1.87 26.08 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 115.037 -0.983 . . . . 63.310000000000002 111.651 -175.307 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 99.47 -23.45 36.16 Favored Glycine 0 C--N 1.353 1.496 0 CA-C-O 119.801 -0.444 . . . . 73.409999999999997 113.448 169.43 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt -82.03 76.6 8.91 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.141 0.577 . . . . 73.230000000000004 110.277 -176.161 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.459 ' HB3' ' HA ' ' A' ' 78' ' ' ILE . . . -83.57 -4.53 58.64 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 115.582 -0.735 . . . . 73.109999999999999 112.569 -173.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.406 ' HG2' HD13 ' A' ' 78' ' ' ILE . 29.2 mtm180 -73.08 -45.25 58.34 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-N 118.184 0.447 . . . . 71.329999999999998 109.91 165.762 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -66.21 -38.36 87.76 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 114.956 -1.02 . . . . 63.299999999999997 109.773 175.593 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.45 ' HB3' ' HA ' ' A' ' 41' ' ' ALA . . . -57.46 -50.05 74.3 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 122.662 0.385 . . . . 72.230000000000004 110.35 171.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.13 -46.06 83.0 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 124.442 1.089 . . . . 75.430000000000007 112.695 -177.462 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -70.94 -32.79 69.78 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 122.516 0.326 . . . . 75.340000000000003 111.817 -176.304 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.433 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 24.5 m-85 -70.27 -36.85 74.69 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 122.229 0.212 . . . . 75.230000000000004 110.786 175.564 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.592 ' HB2' ' HG ' ' A' ' 71' ' ' LEU . 22.4 m-85 -67.66 -31.91 72.22 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 123.651 0.594 . . . . 61.140000000000001 110.765 175.003 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -74.93 -51.98 12.38 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 123.71 0.631 . . . . 72.239999999999995 111.233 -177.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 62.8 mtp180 -64.12 -33.0 74.78 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 123.863 0.727 . . . . 63.530000000000001 110.364 -178.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.05 -46.78 73.34 Favored 'General case' 0 C--N 1.349 0.569 0 CA-C-N 115.93 -0.577 . . . . 75.299999999999997 109.783 172.166 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.39 -29.83 70.17 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.859 0.864 . . . . 74.030000000000001 112.163 -179.437 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.431 ' O ' ' HD3' ' A' ' 57' ' ' LYS . 88.4 mt -60.1 -54.5 33.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 N-CA-C 109.105 -0.702 . . . . 74.140000000000001 109.105 172.567 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 59.9 t -62.33 -34.77 65.98 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.872 0 C-N-CA 123.845 0.858 . . . . 63.219999999999999 111.041 -177.194 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -68.36 -49.85 57.32 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 116.148 -0.478 . . . . 75.420000000000002 110.595 178.705 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -62.81 -46.81 86.25 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.479 0.712 . . . . 74.439999999999998 111.936 -176.531 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.431 ' HD3' ' O ' ' A' ' 53' ' ' ILE . 5.4 mptp? -56.15 -42.43 76.97 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.056 0.943 . . . . 44.219999999999999 111.637 177.215 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -86.73 -8.61 57.24 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 115.808 -0.633 . . . . 73.239999999999995 112.065 178.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 61.0 61.85 1.54 Allowed 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.968 1.307 . . . . 71.439999999999998 112.118 -179.063 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -113.94 86.98 2.52 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 125.245 1.418 . . . . 62.130000000000003 107.769 174.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.4 m -68.27 -23.59 64.78 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.616 0.767 . . . . 70.340000000000003 111.221 -176.111 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -57.26 -57.47 12.46 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.947 1.299 . . . . 74.450000000000003 110.221 174.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -72.78 -38.87 56.39 Favored Glycine 0 C--N 1.343 0.966 0 CA-C-N 114.974 -1.012 . . . . 74.040000000000006 112.804 177.602 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 61.6 tp -62.37 -44.37 96.63 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.668 0.787 . . . . 53.439999999999998 111.421 -175.499 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 64.5 ttt180 -64.99 -45.31 86.11 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.462 0.705 . . . . 64.329999999999998 110.192 179.535 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 36.6 ttp-105 -69.13 -33.72 73.9 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 114.663 -1.153 . . . . 75.5 111.212 -175.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.459 ' O ' ' HB2' ' A' ' 71' ' ' LEU . . . -75.85 -41.24 52.94 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.82 0.848 . . . . 71.010000000000005 110.556 176.789 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.36 -42.47 98.89 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 124.098 0.959 . . . . 71.219999999999999 111.404 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.437 ' O ' ' HG2' ' A' ' 73' ' ' GLU . 22.5 tptm -66.69 -52.09 48.6 Favored 'General case' 0 C--N 1.345 0.397 0 CA-C-N 114.658 -1.155 . . . . 73.409999999999997 109.865 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 78.2 p -63.45 -30.05 71.23 Favored 'General case' 0 C--N 1.349 0.546 0 O-C-N 123.916 0.76 . . . . 63.43 111.484 -178.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.592 ' HG ' ' HB2' ' A' ' 48' ' ' PHE . 0.7 OUTLIER -63.75 -51.81 63.22 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.082 0.953 . . . . 71.340000000000003 109.031 177.735 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.7 tmmm? -69.1 -33.54 73.68 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 123.992 0.917 . . . . 53.520000000000003 111.363 -177.382 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 69' ' ' LYS . 26.4 mm-40 -69.88 -33.13 71.82 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 110.083 -0.34 . . . . 60.409999999999997 110.083 173.831 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.538 ' O ' HG13 ' A' ' 78' ' ' ILE . . . -69.34 -32.09 70.95 Favored 'General case' 0 C--O 1.214 -0.785 0 CA-C-O 118.841 -0.6 . . . . 60.350000000000001 110.918 177.69 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.44 HG12 ' O ' ' A' ' 71' ' ' LEU . 36.5 mm -60.64 -49.93 82.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 C-N-CA 123.249 0.62 . . . . 72.230000000000004 111.558 -177.255 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 17.0 p -68.1 -27.79 66.78 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 123.892 0.745 . . . . 64.409999999999997 111.207 175.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -82.2 -8.56 59.65 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.796 0.839 . . . . 74.239999999999995 112.504 179.11 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.538 HG13 ' O ' ' A' ' 74' ' ' ALA . 78.3 mt . . . . . 0 CA--C 1.554 1.126 0 N-CA-C 109.432 -0.581 . . . . 33.409999999999997 109.432 176.28 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 . . . . . 0 N--CA 1.478 0.967 0 CA-C-O 120.612 0.244 . . . . 74.150000000000006 111.33 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.23 -26.0 65.48 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.85 0.86 . . . . 53.549999999999997 112.352 -170.276 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -61.31 -34.2 74.83 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.86 0.864 . . . . 75.349999999999994 111.938 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -65.38 -30.59 71.43 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 115.63 -0.714 . . . . 74.200000000000003 110.896 178.501 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 40.5 mtm -72.65 -40.82 66.06 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 115.496 -0.774 . . . . 74.340000000000003 110.174 177.129 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.502 ' HB2' HD22 ' A' ' 71' ' ' LEU . . . -61.48 -42.6 99.03 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.15 0.58 . . . . 71.5 110.53 174.55 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.436 ' O ' ' HG2' ' A' ' 96' ' ' GLU . 56.6 tptt -59.76 -47.35 86.04 Favored 'General case' 0 C--O 1.223 -0.335 0 O-C-N 124.882 1.364 . . . . 60.020000000000003 109.359 178.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 15.7 mmtm -59.83 -44.4 94.07 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 124.451 1.095 . . . . 32.240000000000002 111.509 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.29 -39.65 92.83 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.185 0.594 . . . . 74.129999999999995 111.713 -177.278 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -75.39 -28.54 59.5 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.564 0.746 . . . . 65.340000000000003 110.772 178.149 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 15.8 mm-40 -66.09 -40.51 90.86 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 122.95 0.5 . . . . 72.430000000000007 109.78 172.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 47.7 m0 -66.44 -35.58 80.65 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.585 0.754 . . . . 74.549999999999997 111.038 177.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 51.4 tp -59.57 -50.31 74.38 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 123.882 0.739 . . . . 73.420000000000002 110.211 175.489 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -65.51 -30.79 71.6 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.274 0.63 . . . . 72.200000000000003 110.949 178.138 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.45 -33.49 75.25 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.698 0.799 . . . . 75.540000000000006 111.249 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 . . . . . 0 C--N 1.352 0.677 0 C-N-CA 122.926 0.49 . . . . 74.420000000000002 111.105 175.958 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 35.3 mtm . . . . . 0 N--CA 1.478 0.929 0 N-CA-C 109.663 -0.495 . . . . 75.219999999999999 109.663 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.64 -62.74 3.97 Favored Glycine 0 C--N 1.348 1.208 0 N-CA-C 111.427 -0.669 . . . . 72.219999999999999 111.427 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 37.5 ttt-85 -64.53 -22.66 67.03 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 123.328 0.651 . . . . 74.040000000000006 110.654 176.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.21 -47.09 81.08 Favored 'General case' 0 C--N 1.347 0.462 0 C-N-CA 122.875 0.47 . . . . 65.129999999999995 111.179 174.394 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.456 HD23 HD12 ' A' ' 31' ' ' ILE . 26.4 mt -67.03 -38.66 86.3 Favored 'General case' 0 C--N 1.365 1.274 0 CA-C-O 120.847 0.356 . . . . 75.319999999999993 110.536 176.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -56.74 -42.8 79.93 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 124.218 1.007 . . . . 75.129999999999995 111.055 174.177 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -71.63 -38.49 70.77 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.034 0.934 . . . . 71.239999999999995 110.453 -175.157 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.456 HD12 HD23 ' A' ' 28' ' ' LEU . 91.5 mt -61.14 -41.96 91.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 123.681 0.792 . . . . 70.109999999999999 109.57 172.646 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -60.29 -36.56 91.19 Favored Glycine 0 C--N 1.352 1.435 0 CA-C-N 115.289 -0.869 . . . . 72.409999999999997 112.751 177.274 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.1 mt -68.35 -43.8 76.65 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.264 0.625 . . . . 72.310000000000002 110.3 176.405 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -63.08 -33.41 75.39 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.325 0.65 . . . . 62.329999999999998 111.073 178.722 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.486 ' HD3' ' HB3' ' A' ' 43' ' ' GLU . 64.3 mttm -72.78 -46.16 54.75 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.441 0.696 . . . . 74.430000000000007 110.638 175.83 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -59.69 -33.68 71.9 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.56 0.744 . . . . 75.319999999999993 110.323 178.615 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -63.46 -38.45 91.2 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.031 1.332 . . . . 72.230000000000004 111.038 176.703 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.452 ' HE2' ' HA ' ' A' ' 35' ' ' LYS . 51.1 mtm -83.62 6.85 19.27 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.646 0.778 . . . . 70.329999999999998 111.393 178.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.57 2.02 90.06 Favored Glycine 0 C--N 1.356 1.642 0 CA-C-O 120.174 -0.236 . . . . 61.32 113.063 -178.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp -82.73 78.92 9.27 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.376 0.67 . . . . 73.120000000000005 109.893 178.738 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.67 -33.18 53.42 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.686 0.794 . . . . 54.25 111.065 179.035 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 47.6 tpt85 -66.13 -45.83 79.66 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.77 0.828 . . . . 72.540000000000006 110.431 -179.016 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.486 ' HB3' ' HD3' ' A' ' 35' ' ' LYS . 47.9 mt-10 -69.77 -39.85 76.41 Favored 'General case' 0 C--N 1.353 0.757 0 O-C-N 123.66 0.6 . . . . 74.409999999999997 110.64 175.716 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.76 -43.3 72.61 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 123.755 0.659 . . . . 63.439999999999998 111.283 -179.547 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.24 -39.07 85.42 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 124.116 0.885 . . . . 34.509999999999998 112.752 -178.635 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.429 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 14.5 mm-40 -58.19 -51.27 70.45 Favored 'General case' 0 N--CA 1.477 0.875 0 O-C-N 123.825 0.703 . . . . 73.549999999999997 110.329 177.515 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -72.89 -30.88 64.28 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.347 1.059 . . . . 74.540000000000006 112.192 -174.166 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -68.82 -32.01 71.41 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 122.854 0.461 . . . . 72.430000000000007 111.01 174.054 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.441 ' CG ' ' HB3' ' A' ' 90' ' ' MET . 27.4 t80 -72.48 -47.91 44.96 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 123.454 0.471 . . . . 73.209999999999994 110.842 178.132 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.429 ' HG3' ' O ' ' A' ' 46' ' ' GLU . 85.8 mtt180 -61.03 -38.56 86.56 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 124.097 0.873 . . . . 75.310000000000002 109.765 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.33 -47.34 84.65 Favored 'General case' 0 C--N 1.348 0.539 0 CA-C-N 115.131 -0.941 . . . . 60.340000000000003 110.517 173.177 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.72 -36.06 79.86 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.52 0.728 . . . . 62.399999999999999 112.11 -178.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 95.7 mt -59.17 -48.86 85.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 123.978 0.911 . . . . 73.010000000000005 110.089 174.668 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.511 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 85.9 t -60.35 -53.11 53.3 Favored 'Isoleucine or valine' 0 C--N 1.351 0.661 0 O-C-N 124.145 0.903 . . . . 51.140000000000001 110.225 -179.371 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -60.74 -31.02 70.35 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.235 0.614 . . . . 73.299999999999997 112.415 -179.035 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 30.2 t80 -70.77 -49.98 40.86 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.307 0.643 . . . . 62.109999999999999 111.304 177.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -74.43 -21.36 59.65 Favored 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 112.625 0.602 . . . . 72.519999999999996 112.625 -177.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.511 ' HG2' ' O ' ' A' ' 54' ' ' VAL . 5.6 mm-40 -85.4 -12.64 51.56 Favored 'General case' 0 N--CA 1.485 1.293 0 N-CA-C 109.731 -0.47 . . . . 51.109999999999999 109.731 169.094 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 74.3 m-70 62.85 29.78 16.61 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.46 1.504 . . . . 73.129999999999995 112.39 -179.041 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -80.38 87.61 5.62 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 107.991 -1.114 . . . . 74.120000000000005 107.991 169.485 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 33.4 m -61.62 -31.12 71.19 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 124.47 1.108 . . . . 71.25 112.373 -174.364 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -64.27 -52.88 56.46 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.239 1.015 . . . . 71.439999999999998 111.106 178.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -69.24 -30.55 71.65 Favored Glycine 0 C--N 1.345 1.062 0 CA-C-N 115.535 -0.757 . . . . 54.130000000000003 112.882 178.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 59.9 tp -66.37 -40.74 89.93 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.1 0.56 . . . . 64.030000000000001 109.948 176.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -61.59 -45.85 92.38 Favored 'General case' 0 N--CA 1.477 0.906 0 O-C-N 123.83 0.706 . . . . 74.209999999999994 110.012 175.589 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 61.2 ttm-85 -67.88 -40.91 83.49 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 124.745 1.278 . . . . 71.420000000000002 111.548 -174.13 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.431 ' O ' ' HB2' ' A' ' 71' ' ' LEU . . . -75.12 -34.42 61.69 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.57 0.748 . . . . 73.219999999999999 110.854 179.463 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.51 -40.32 89.13 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.241 0.616 . . . . 71.349999999999994 111.141 174.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.545 ' O ' ' HG2' ' A' ' 73' ' ' GLU . 22.4 tptm -68.24 -50.92 50.72 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-N 114.627 -1.17 . . . . 74.109999999999999 109.72 -179.618 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 50.6 m -64.69 -29.49 70.49 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 122.697 0.399 . . . . 65.340000000000003 111.066 -178.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.616 HD13 ' HA ' ' A' ' 91' ' ' ALA . 0.6 OUTLIER -61.12 -53.41 57.38 Favored 'General case' 0 C--N 1.354 0.801 0 C-N-CA 123.314 0.646 . . . . 71.019999999999996 109.345 176.601 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.64 -29.56 65.96 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 122.748 0.419 . . . . 70.040000000000006 111.929 -178.076 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.545 ' HG2' ' O ' ' A' ' 69' ' ' LYS . 10.2 mm-40 -66.04 -34.84 79.0 Favored 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 109.625 -0.509 . . . . 74.030000000000001 109.625 172.643 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.561 ' O ' HG13 ' A' ' 78' ' ' ILE . . . -70.73 -36.24 73.09 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.228 0.611 . . . . 43.039999999999999 110.948 176.419 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.486 HG12 ' O ' ' A' ' 71' ' ' LEU . 44.1 mm -64.55 -44.71 96.84 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 C-N-CA 123.293 0.637 . . . . 74.239999999999995 111.43 -177.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 30.8 p -68.16 -13.27 62.1 Favored 'General case' 0 CA--C 1.551 0.982 0 CA-C-N 115.668 -0.696 . . . . 73.439999999999998 111.289 176.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -97.09 -17.57 19.88 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 123.995 0.918 . . . . 75.329999999999998 111.484 173.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.561 HG13 ' O ' ' A' ' 74' ' ' ALA . 43.5 mt . . . . . 0 N--CA 1.485 1.287 0 N-CA-C 108.777 -0.823 . . . . 54.409999999999997 108.777 173.63 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 . . . . . 0 N--CA 1.482 1.126 0 CA-C-O 120.854 0.359 . . . . 72.150000000000006 111.343 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.96 -24.25 65.94 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.649 1.18 . . . . 75.409999999999997 112.492 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -58.64 -32.99 69.56 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 123.498 0.719 . . . . 72.349999999999994 112.345 177.245 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -60.78 -32.34 71.67 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.489 0.716 . . . . 62.32 110.681 177.734 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.441 ' HB3' ' CG ' ' A' ' 49' ' ' PHE . 31.0 mtm -74.14 -38.02 63.88 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 114.917 -1.038 . . . . 75.340000000000003 111.113 178.315 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.616 ' HA ' HD13 ' A' ' 71' ' ' LEU . . . -58.15 -43.0 87.14 Favored 'General case' 0 C--N 1.352 0.687 0 O-C-N 123.767 0.667 . . . . 64.230000000000004 109.711 173.804 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.452 ' O ' ' HG2' ' A' ' 96' ' ' GLU . 52.6 mtpt -62.05 -42.29 99.03 Favored 'General case' 0 C--N 1.351 0.635 0 O-C-N 124.481 1.113 . . . . 71.510000000000005 111.521 178.095 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 25.7 mmtp -56.38 -50.75 70.67 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.521 0.728 . . . . 74.120000000000005 110.699 177.231 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.7 -33.1 72.35 Favored 'General case' 0 CA--C 1.552 1.048 0 CA-C-N 115.027 -0.988 . . . . 52.439999999999998 111.858 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.488 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 45.8 mt-10 -68.24 -45.84 72.11 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.269 1.027 . . . . 71.329999999999998 110.71 174.525 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 19.4 mm-40 -61.09 -38.88 87.83 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.676 0.79 . . . . 75.129999999999995 110.774 -178.404 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 49.3 m0 -66.24 -41.71 89.64 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 114.982 -1.008 . . . . 73.200000000000003 110.234 177.503 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 51.2 tp -64.85 -37.39 87.45 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 123.657 0.598 . . . . 61.439999999999998 110.608 178.347 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.488 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 81.7 mm-40 -71.56 -25.68 62.31 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.199 0.599 . . . . 63.450000000000003 111.149 178.313 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -77.71 -41.65 37.15 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.512 0.725 . . . . 73.409999999999997 110.986 176.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 . . . . . 0 N--CA 1.476 0.832 0 C-N-CA 123.352 0.661 . . . . 63.420000000000002 110.798 179.387 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 23.6 mtm . . . . . 0 N--CA 1.473 0.696 0 CA-C-O 120.875 0.369 . . . . 71.040000000000006 110.48 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.65 -55.82 4.43 Favored Glycine 0 C--N 1.347 1.162 0 N-CA-C 109.805 -1.318 . . . . 70.120000000000005 109.805 -170.138 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -58.1 -35.32 71.26 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.463 1.105 . . . . 75.030000000000001 111.114 175.053 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.83 -46.06 81.94 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 123.158 0.583 . . . . 50.219999999999999 111.163 174.042 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.495 HD23 HD12 ' A' ' 31' ' ' ILE . 28.2 mt -66.11 -35.41 80.44 Favored 'General case' 0 N--CA 1.484 1.227 0 O-C-N 123.133 0.27 . . . . 73.439999999999998 111.237 176.607 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -58.64 -44.5 90.1 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.251 0.621 . . . . 74.219999999999999 110.946 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 66.5 m-80 -68.24 -34.8 76.88 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 122.781 0.433 . . . . 75.319999999999993 111.468 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.495 HD12 HD23 ' A' ' 28' ' ' LEU . 85.4 mt -62.32 -40.71 88.87 Favored 'Isoleucine or valine' 0 C--N 1.352 0.695 0 N-CA-C 109.532 -0.544 . . . . 72.010000000000005 109.532 174.024 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.8 -37.51 94.79 Favored Glycine 0 C--N 1.344 1.016 0 CA-C-N 115.214 -0.903 . . . . 43.109999999999999 112.331 176.6 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.5 mt -63.37 -40.7 97.98 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.393 0.677 . . . . 52.329999999999998 110.411 178.285 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -67.79 -44.25 77.8 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 123.98 0.8 . . . . 73.209999999999994 111.403 179.553 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.0 mptp? -59.35 -48.94 79.73 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.484 0.714 . . . . 71.5 109.767 175.63 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -60.79 -36.02 77.93 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.051 0.94 . . . . 62.399999999999999 110.656 -178.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.2 tptt -67.5 -39.38 85.16 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.842 0.857 . . . . 73.430000000000007 110.851 178.611 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 53.5 mtm -77.54 -7.69 56.67 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.011 0.525 . . . . 74.019999999999996 111.495 178.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 92.47 1.32 68.92 Favored Glycine 0 C--N 1.346 1.087 0 N-CA-C 112.082 -0.407 . . . . 54.329999999999998 112.082 -178.695 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -79.04 68.28 4.95 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 108.878 -0.786 . . . . 74.430000000000007 108.878 173.175 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.457 ' HB1' ' O ' ' A' ' 74' ' ' ALA . . . -78.26 -25.86 46.98 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.039 0.936 . . . . 61.210000000000001 111.604 -173.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -65.93 -49.39 68.14 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.403 1.081 . . . . 63.340000000000003 109.36 172.567 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -64.39 -41.3 96.73 Favored 'General case' 0 N--CA 1.478 0.933 0 O-C-N 123.839 0.712 . . . . 73.109999999999999 110.915 175.537 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.52 -46.02 87.64 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.944 0.898 . . . . 75.349999999999994 110.843 -178.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.62 -33.71 66.54 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 124.649 1.218 . . . . 60.5 111.889 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.432 ' HB3' ' NH1' ' A' ' 50' ' ' ARG . 42.3 mt-10 -65.78 -51.74 56.57 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.519 0.728 . . . . 55.310000000000002 110.676 177.266 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.485 ' HD1' HD22 ' A' ' 28' ' ' LEU . 79.5 m-85 -68.86 -33.41 73.75 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 115.613 -0.721 . . . . 61.240000000000002 111.921 -175.332 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.416 ' HB2' ' HG ' ' A' ' 71' ' ' LEU . 19.8 m-85 -68.02 -35.35 78.13 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 123.736 0.647 . . . . 73.439999999999998 110.434 176.234 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -70.82 -50.77 31.97 Favored 'General case' 0 C--N 1.347 0.468 0 CA-C-N 115.91 -0.586 . . . . 64.540000000000006 111.206 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.432 ' NH1' ' HB3' ' A' ' 46' ' ' GLU . 67.9 mtt180 -68.7 -29.84 68.36 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.501 -0.772 . . . . 65.239999999999995 110.589 -176.761 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.24 -51.23 67.05 Favored 'General case' 0 C--N 1.348 0.512 0 O-C-N 124.075 0.859 . . . . 70.439999999999998 109.427 168.066 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.6 -31.31 69.36 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.1 0.96 . . . . 73.530000000000001 112.011 -177.349 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.521 ' O ' ' HD3' ' A' ' 57' ' ' LYS . 93.6 mt -60.71 -53.75 44.65 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 C-N-CA 123.677 0.791 . . . . 73.430000000000007 109.64 174.455 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 46.4 t -63.56 -39.93 87.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 123.05 0.54 . . . . 72.109999999999999 110.749 -176.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -61.7 -43.34 99.04 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.202 0.601 . . . . 74.230000000000004 110.988 176.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -63.78 -45.97 87.31 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.871 0.869 . . . . 74.430000000000007 111.218 -179.08 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.521 ' HD3' ' O ' ' A' ' 53' ' ' ILE . 5.5 mptp? -55.51 -43.09 75.37 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.833 0.853 . . . . 71.5 111.671 173.253 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -80.86 -11.46 59.58 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 122.962 0.505 . . . . 64.439999999999998 111.709 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 64.54 28.46 13.36 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.139 1.376 . . . . 75.150000000000006 111.82 -177.465 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -80.98 83.73 6.62 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 108.198 -1.038 . . . . 72.219999999999999 108.198 173.296 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 10.8 p -56.21 -33.07 64.99 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.186 0.994 . . . . 62.520000000000003 113.293 174.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.427 ' O ' ' HG3' ' A' ' 66' ' ' ARG . 27.1 t70 -66.96 -50.78 61.24 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.116 0.566 . . . . 74.439999999999998 110.566 -177.318 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -67.37 -41.17 91.41 Favored Glycine 0 C--N 1.349 1.261 0 O-C-N 123.639 0.587 . . . . 72.310000000000002 112.22 176.336 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 44.1 tp -58.11 -37.26 74.22 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.586 1.154 . . . . 55.450000000000003 110.723 176.422 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -64.88 -50.78 65.21 Favored 'General case' 0 C--N 1.347 0.471 0 C-N-CA 124.274 1.03 . . . . 75.430000000000007 109.807 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.427 ' HG3' ' O ' ' A' ' 62' ' ' ASP . 81.6 mtt-85 -57.51 -45.97 84.35 Favored 'General case' 0 N--CA 1.475 0.775 0 O-C-N 124.335 1.022 . . . . 74.420000000000002 110.575 178.475 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.457 ' O ' ' HB2' ' A' ' 71' ' ' LEU . . . -67.67 -38.6 83.98 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.025 0.93 . . . . 70.140000000000001 111.522 -177.108 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.91 -43.2 68.78 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.582 0.753 . . . . 73.450000000000003 111.371 -178.477 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.548 ' HA ' ' HE2' ' A' ' 69' ' ' LYS . 10.7 mmpt? -65.51 -51.49 59.63 Favored 'General case' 0 C--N 1.347 0.461 0 CA-C-N 115.735 -0.666 . . . . 62.329999999999998 110.399 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 27.0 m -64.41 -29.81 70.86 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.953 0.901 . . . . 72.450000000000003 111.604 -178.427 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.523 HD13 ' HA ' ' A' ' 91' ' ' ALA . 1.0 OUTLIER -60.11 -48.41 81.85 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.413 0.685 . . . . 64.239999999999995 109.371 176.629 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -70.39 -34.18 72.27 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-N 115.422 -0.808 . . . . 73.519999999999996 111.614 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -70.21 -21.09 63.05 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.463 0.705 . . . . 73.040000000000006 110.458 176.372 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.457 ' O ' ' HB1' ' A' ' 41' ' ' ALA . . . -80.92 -35.51 32.28 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.299 0.639 . . . . 74.239999999999995 110.455 171.316 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.715 HG21 ' HD3' ' A' ' 88' ' ' LYS . 40.4 mm -60.71 -45.82 96.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 CA-C-O 120.941 0.401 . . . . 74.319999999999993 111.247 -178.486 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 14.8 t -66.71 -15.55 63.6 Favored 'General case' 0 CA--C 1.555 1.139 0 CA-C-N 115.553 -0.748 . . . . 65.409999999999997 111.566 -179.041 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -106.48 -3.37 20.99 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 123.938 0.895 . . . . 55.539999999999999 112.7 -178.576 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 86.1 mt . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 118.971 -0.538 . . . . 73.439999999999998 109.55 176.823 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 . . . . . 0 N--CA 1.481 1.096 0 CA-C-O 120.963 0.411 . . . . 55.119999999999997 111.547 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.591 ' HA ' ' HE2' ' A' ' 90' ' ' MET . . . -76.94 -26.13 53.68 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 115.814 -0.63 . . . . 73.019999999999996 111.802 179.518 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.715 ' HD3' HG21 ' A' ' 75' ' ' ILE . 28.6 tptp -65.56 -36.12 82.84 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.294 1.037 . . . . 62.109999999999999 111.105 -176.073 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -63.86 -37.71 88.4 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 122.877 0.471 . . . . 72.439999999999998 110.354 176.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.591 ' HE2' ' HA ' ' A' ' 87' ' ' ALA . 37.4 mtm -68.44 -38.56 81.27 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 115.345 -0.843 . . . . 73.310000000000002 110.499 177.038 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.523 ' HA ' HD13 ' A' ' 71' ' ' LEU . . . -62.12 -40.35 95.61 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.319 0.648 . . . . 72.25 110.226 176.698 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.514 ' O ' ' HG2' ' A' ' 96' ' ' GLU . 57.2 tttm -72.2 -33.42 67.62 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 123.921 0.763 . . . . 72.0 110.667 -178.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 59.1 mmtt -59.4 -47.63 84.71 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 122.804 0.442 . . . . 75.120000000000005 110.381 174.086 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.33 -32.96 73.8 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 115.281 -0.872 . . . . 75.019999999999996 111.487 177.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' A' ' 91' ' ' ALA . 45.0 mt-10 -67.75 -42.63 81.51 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.37 0.668 . . . . 75.209999999999994 111.145 174.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.514 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 49.3 mm-40 -60.79 -46.77 89.19 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 123.812 0.695 . . . . 64.150000000000006 110.061 -178.779 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 44.4 m0 -63.18 -42.95 99.46 Favored 'General case' 0 C--N 1.345 0.406 0 O-C-N 124.507 1.13 . . . . 64.120000000000005 111.092 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 26.5 tp -62.93 -50.1 72.15 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 123.914 0.759 . . . . 74.340000000000003 111.167 -176.709 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -69.82 -32.48 70.93 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.211 0.604 . . . . 74.409999999999997 110.893 -178.555 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.75 -47.05 70.34 Favored 'General case' 0 C--O 1.244 0.815 0 C-N-CA 123.244 0.618 . . . . 70.409999999999997 111.419 -178.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 . . . . . 0 CA--C 1.541 0.614 0 O-C-N 123.315 0.384 . . . . 73.140000000000001 111.064 -177.29 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 27.6 mtm . . . . . 0 N--CA 1.47 0.569 0 N-CA-C 109.406 -0.59 . . . . 72.329999999999998 109.406 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.87 -59.98 4.9 Favored Glycine 0 C--N 1.346 1.13 0 N-CA-C 111.152 -0.779 . . . . 70.450000000000003 111.152 -174.381 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 60.2 ttt180 -53.74 -36.83 62.74 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.6 1.16 . . . . 61.509999999999998 111.09 170.673 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.74 -52.7 64.36 Favored 'General case' 0 CA--C 1.548 0.869 0 O-C-N 123.796 0.685 . . . . 72.200000000000003 111.17 178.502 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.598 HD23 HD12 ' A' ' 31' ' ' ILE . 24.3 mt -67.01 -32.39 73.58 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 122.457 0.303 . . . . 62.509999999999998 111.577 177.028 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -62.46 -43.27 99.23 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.139 0.576 . . . . 74.319999999999993 109.87 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.504 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 92.9 m-20 -67.13 -35.33 79.5 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 115.521 -0.763 . . . . 73.549999999999997 110.903 178.49 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.598 HD12 HD23 ' A' ' 28' ' ' LEU . 94.5 mt -64.14 -39.81 86.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 C-N-CA 123.527 0.731 . . . . 65.420000000000002 109.575 175.433 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.42 -39.65 97.97 Favored Glycine 0 C--N 1.348 1.239 0 CA-C-N 115.067 -0.97 . . . . 73.430000000000007 112.512 176.691 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 98.3 mt -63.09 -43.43 98.52 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.498 0.719 . . . . 53.310000000000002 110.449 176.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.504 ' HG2' ' O ' ' A' ' 30' ' ' ASN . 9.4 mm-40 -61.13 -42.91 99.4 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.663 0.785 . . . . 61.299999999999997 111.044 178.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.466 ' HG2' ' HE2' ' A' ' 47' ' ' TYR . 3.0 mptp? -66.31 -45.18 81.25 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.057 0.943 . . . . 61.200000000000003 110.708 178.301 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -61.27 -38.36 86.47 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.695 0.798 . . . . 75.200000000000003 110.36 -178.144 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -62.65 -42.13 99.43 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.494 1.117 . . . . 75.120000000000005 109.625 177.436 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 67.1 mtm -85.06 12.67 7.26 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 123.631 0.772 . . . . 71.299999999999997 112.164 -178.191 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.2 -8.44 60.9 Favored Glycine 0 C--N 1.353 1.503 0 CA-C-O 119.979 -0.345 . . . . 65.439999999999998 113.877 176.197 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 39.1 mttm -77.83 69.0 4.0 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.375 1.07 . . . . 74.409999999999997 109.429 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.467 ' HA ' ' HB3' ' A' ' 44' ' ' ALA . . . -82.05 -17.67 45.89 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.497 0.719 . . . . 73.510000000000005 112.258 -172.791 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -64.94 -53.85 39.96 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 108.913 -0.773 . . . . 64.430000000000007 108.913 169.631 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -63.45 -38.86 92.77 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 114.894 -1.048 . . . . 75.319999999999993 110.453 177.255 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.467 ' HB3' ' HA ' ' A' ' 41' ' ' ALA . . . -57.06 -55.54 33.34 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.225 0.61 . . . . 70.109999999999999 110.797 -178.833 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.2 -32.81 71.44 Favored 'General case' 0 C--N 1.35 0.627 0 O-C-N 124.318 1.011 . . . . 72.109999999999999 111.401 179.309 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 7.5 tm-20 -62.36 -50.02 73.24 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.366 1.066 . . . . 71.310000000000002 110.11 179.224 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.466 ' HE2' ' HG2' ' A' ' 35' ' ' LYS . 61.1 m-85 -72.08 -32.95 67.51 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 122.845 0.458 . . . . 73.109999999999999 111.685 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -64.41 -31.68 72.99 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 123.769 0.668 . . . . 72.540000000000006 110.275 176.206 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.4 ' O ' HG13 ' A' ' 53' ' ' ILE . 28.1 t80 -69.99 -50.56 40.41 Favored 'General case' 0 C--N 1.345 0.376 0 O-C-N 124.162 0.913 . . . . 75.209999999999994 110.734 178.661 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' A' ' 46' ' ' GLU . 77.1 mtp180 -60.15 -40.96 91.66 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.888 0.875 . . . . 53.329999999999998 110.148 179.262 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.93 -42.86 94.32 Favored 'General case' 0 C--N 1.345 0.407 0 CA-C-N 114.552 -1.204 . . . . 62.030000000000001 110.77 177.043 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.96 -38.03 89.44 Favored 'General case' 0 N--CA 1.482 1.166 0 O-C-N 123.986 0.804 . . . . 50.530000000000001 111.051 -177.499 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 49' ' ' PHE . 87.6 mt -57.67 -41.71 79.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 123.982 0.913 . . . . 71.109999999999999 110.607 173.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.4 t -71.65 -43.8 70.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 123.204 0.602 . . . . 75.200000000000003 111.046 -177.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -65.75 -27.77 68.55 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-O 120.988 0.423 . . . . 74.400000000000006 111.075 177.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -74.04 -48.12 32.19 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.568 1.147 . . . . 75.230000000000004 111.719 177.106 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -68.41 -26.45 65.55 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 122.865 0.466 . . . . 70.230000000000004 111.686 178.484 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -85.28 -11.89 53.72 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.36 0.664 . . . . 72.310000000000002 111.145 173.051 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 63.73 21.74 12.8 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.099 1.359 . . . . 65.409999999999997 111.831 177.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -81.86 92.63 6.73 Favored 'General case' 0 C--O 1.238 0.476 0 N-CA-C 108.27 -1.011 . . . . 71.219999999999999 108.27 178.639 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 12.4 p -59.56 -36.19 75.71 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.996 0.918 . . . . 74.140000000000001 112.764 -175.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -60.65 -49.65 76.67 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 123.596 0.56 . . . . 72.109999999999999 110.685 -179.169 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -72.14 -32.67 62.78 Favored Glycine 0 C--N 1.343 0.932 0 O-C-N 124.303 1.002 . . . . 70.209999999999994 112.729 -179.589 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 63.6 tp -71.36 -37.08 71.66 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.694 0.798 . . . . 71.430000000000007 110.507 179.101 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 28.8 ttm-85 -71.95 -34.96 69.41 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.468 1.107 . . . . 75.230000000000004 109.829 176.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 30.0 ttm-85 -71.22 -40.48 71.09 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.161 1.384 . . . . 72.099999999999994 110.474 179.346 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.447 ' O ' ' HB2' ' A' ' 71' ' ' LEU . . . -75.59 -36.56 60.31 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 115.21 -0.905 . . . . 53.539999999999999 110.794 178.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.48 -45.43 87.38 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 123.923 0.765 . . . . 74.150000000000006 110.117 176.399 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.565 ' HA ' ' HE3' ' A' ' 72' ' ' LYS . 37.8 ttmt -55.54 -51.7 66.2 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 124.862 1.352 . . . . 74.0 110.872 178.436 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 37.1 m -73.61 -31.66 63.68 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 115.261 -0.881 . . . . 60.439999999999998 111.635 -176.12 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.447 ' HB2' ' O ' ' A' ' 67' ' ' ALA . 1.6 tt -64.53 -54.71 28.04 Favored 'General case' 0 N--CA 1.485 1.284 0 N-CA-C 108.962 -0.755 . . . . 74.310000000000002 108.962 -179.546 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.565 ' HE3' ' HA ' ' A' ' 69' ' ' LYS . 21.8 pttp -69.83 -34.41 73.62 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 115.43 -0.804 . . . . 74.400000000000006 111.888 -173.337 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.404 ' HG3' ' HG3' ' A' ' 72' ' ' LYS . 48.9 mt-10 -89.61 3.26 53.14 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.412 0.685 . . . . 63.350000000000001 111.28 178.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.465 ' O ' HG13 ' A' ' 78' ' ' ILE . . . -78.85 -27.86 44.19 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 109.709 -0.478 . . . . 65.439999999999998 109.709 165.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.48 HG21 ' HG2' ' A' ' 88' ' ' LYS . 2.0 mp -62.76 -39.74 85.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 C-N-CA 123.544 0.738 . . . . 73.230000000000004 111.004 178.041 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 38.0 p -67.24 -14.66 63.12 Favored 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 122.783 0.433 . . . . 73.0 111.639 177.16 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -100.16 -13.76 18.81 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 124.197 0.999 . . . . 34.439999999999998 111.935 176.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.465 HG13 ' O ' ' A' ' 74' ' ' ALA . 68.8 mt . . . . . 0 N--CA 1.492 1.627 0 C-N-CA 123.542 0.737 . . . . 75.420000000000002 110.917 -178.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 . . . . . 0 CA--C 1.547 0.844 0 CA-C-O 121.444 0.64 . . . . 73.310000000000002 111.028 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -76.71 -25.98 54.19 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.258 -0.883 . . . . 63.329999999999998 112.266 179.476 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.48 ' HG2' HG21 ' A' ' 75' ' ' ILE . 4.8 tmtt? -63.29 -37.37 86.98 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.65 0.78 . . . . 63.25 110.597 -178.293 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -67.76 -32.72 73.51 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 115.015 -0.993 . . . . 72.5 111.275 179.253 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 45.0 mtm -69.62 -35.09 74.94 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.014 0.525 . . . . 64.049999999999997 110.559 176.35 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.68 -38.72 82.29 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 115.249 -0.887 . . . . 72.030000000000001 111.063 176.531 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.424 ' O ' ' HG2' ' A' ' 96' ' ' GLU . 90.5 mttt -56.58 -46.39 80.83 Favored 'General case' 0 C--N 1.359 1.014 0 O-C-N 124.186 0.929 . . . . 74.019999999999996 110.682 177.088 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 63.1 mmtt -56.37 -51.21 69.16 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 124.395 1.059 . . . . 64.200000000000003 111.311 -178.039 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.59 -36.07 79.63 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 123.898 0.749 . . . . 63.229999999999997 112.603 -176.311 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -73.13 -36.86 66.79 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.677 0.791 . . . . 72.329999999999998 110.669 177.34 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 60.2 mm-40 -69.32 -33.87 73.81 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.28 0.632 . . . . 72.420000000000002 111.024 178.53 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 37.9 m0 -71.22 -38.42 72.01 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 123.206 0.602 . . . . 63.039999999999999 110.439 176.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 44.8 tp -64.26 -39.96 95.01 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.28 0.632 . . . . 61.119999999999997 110.833 177.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -64.95 -44.73 88.48 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.16 0.584 . . . . 74.540000000000006 110.525 173.141 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.13 -34.41 77.54 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.744 0.818 . . . . 61.219999999999999 111.779 -177.194 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 . . . . . 0 CA--C 1.543 0.708 0 C-N-CA 123.173 0.589 . . . . 70.109999999999999 111.901 -177.656 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 3.5 mpp? . . . . . 0 CA--C 1.545 0.778 0 N-CA-C 110.251 -0.277 . . . . 63.439999999999998 110.251 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.39 -43.58 2.92 Favored Glycine 0 N--CA 1.481 1.684 0 N-CA-C 111.241 -0.744 . . . . 64.310000000000002 111.241 -172.022 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.2 ttm-85 -56.73 -39.01 73.16 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.255 1.422 . . . . 61.240000000000002 110.204 170.192 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.404 ' O ' HG13 ' A' ' 31' ' ' ILE . . . -64.72 -44.29 90.68 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 114.916 -1.038 . . . . 72.439999999999998 110.782 174.453 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.514 ' HA ' HD12 ' A' ' 31' ' ' ILE . 37.8 mt -57.45 -41.05 79.77 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.566 0.746 . . . . 72.239999999999995 111.142 176.781 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.448 ' OH ' ' HD2' ' A' ' 66' ' ' ARG . 44.4 t80 -61.95 -42.18 98.83 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-N 115.725 -0.67 . . . . 70.109999999999999 110.873 -179.042 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -63.95 -40.04 95.52 Favored 'General case' 0 N--CA 1.482 1.145 0 O-C-N 123.64 0.588 . . . . 75.049999999999997 110.972 177.589 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.514 HD12 ' HA ' ' A' ' 28' ' ' LEU . 89.0 mt -59.28 -43.21 89.4 Favored 'Isoleucine or valine' 0 C--N 1.355 0.845 0 C-N-CA 123.756 0.823 . . . . 71.5 109.698 176.651 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -61.88 -46.13 94.77 Favored Glycine 0 C--N 1.347 1.156 0 CA-C-N 115.168 -0.924 . . . . 71.120000000000005 113.09 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.4 mt -58.37 -38.28 76.94 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.285 0.634 . . . . 74.439999999999998 110.472 177.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -73.11 -33.01 65.3 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 124.156 0.982 . . . . 74.329999999999998 112.356 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.403 ' HE3' ' HE2' ' A' ' 47' ' ' TYR . 71.5 mmtt -69.33 -45.73 68.76 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.104 0.562 . . . . 74.409999999999997 110.102 176.76 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -61.63 -35.32 77.57 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.48 1.112 . . . . 63.100000000000001 109.709 177.432 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.4 tmmm? -62.64 -36.87 84.23 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.86 1.264 . . . . 63.130000000000003 111.634 179.149 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 57.4 mtm -81.71 -18.8 43.11 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 123.027 0.531 . . . . 72.319999999999993 111.766 178.465 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 116.94 -25.94 8.62 Favored Glycine 0 C--N 1.343 0.924 0 CA-C-O 119.702 -0.499 . . . . 72.310000000000002 112.295 -178.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -76.33 74.12 3.11 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-O 122.113 0.959 . . . . 74.549999999999997 110.565 179.117 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.416 ' HA ' ' HB3' ' A' ' 44' ' ' ALA . . . -82.66 -6.39 59.35 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 114.468 -1.242 . . . . 51.539999999999999 111.688 -174.606 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 -72.88 -47.67 44.01 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.019 0.527 . . . . 63.329999999999998 110.494 173.346 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -60.12 -44.62 94.76 Favored 'General case' 0 C--N 1.355 0.837 0 O-C-N 123.742 0.651 . . . . 60.030000000000001 109.379 172.021 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.416 ' HB3' ' HA ' ' A' ' 41' ' ' ALA . . . -53.54 -47.64 69.81 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 124.33 1.019 . . . . 74.219999999999999 111.799 178.129 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.71 -38.08 77.53 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 124.623 1.202 . . . . 74.439999999999998 111.251 -178.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -64.65 -50.46 67.01 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 123.813 0.696 . . . . 72.439999999999998 110.667 175.549 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.418 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 62.6 m-85 -63.61 -32.01 73.36 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 122.84 0.456 . . . . 73.230000000000004 112.043 -177.006 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.438 ' HE2' ' HB2' ' A' ' 74' ' ' ALA . 21.4 m-85 -69.66 -42.54 74.08 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 123.57 0.544 . . . . 75.340000000000003 110.157 175.034 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -66.91 -46.99 73.15 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 115.487 -0.779 . . . . 64.329999999999998 111.524 -177.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.436 ' O ' HG23 ' A' ' 54' ' ' VAL . 60.4 mtp85 -72.9 -31.95 65.02 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.751 0.821 . . . . 73.510000000000005 110.208 -176.17 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.71 -47.0 85.49 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 109.18 -0.674 . . . . 75.129999999999995 109.18 170.08 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.27 -32.96 71.66 Favored 'General case' 0 N--CA 1.48 1.038 0 O-C-N 124.157 0.911 . . . . 55.439999999999998 111.658 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.523 HG22 ' HE2' ' A' ' 57' ' ' LYS . 97.6 mt -67.05 -48.92 77.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 123.552 0.741 . . . . 74.310000000000002 110.346 175.259 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 50' ' ' ARG . 75.0 t -60.8 -42.33 91.94 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 C-N-CA 122.906 0.482 . . . . 60.049999999999997 110.482 179.745 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -67.94 -36.36 79.99 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.311 0.644 . . . . 73.209999999999994 111.592 178.203 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -67.39 -39.92 85.63 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 123.34 0.4 . . . . 61.439999999999998 110.929 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.523 ' HE2' HG22 ' A' ' 53' ' ' ILE . 67.7 mttm -54.89 -43.53 73.28 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.823 0.849 . . . . 70.209999999999994 111.515 170.2 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -82.04 -8.45 59.66 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 115.818 -0.628 . . . . 71.430000000000007 111.143 178.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 60.22 25.18 14.56 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 125.561 1.545 . . . . 73.420000000000002 111.616 -179.205 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -80.04 92.58 5.62 Favored 'General case' 0 C--O 1.245 0.836 0 CA-C-N 114.6 -1.182 . . . . 71.420000000000002 108.228 177.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 16.5 p -63.31 -26.98 69.01 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 114.96 -1.018 . . . . 44.32 113.026 -174.179 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -69.41 -45.43 69.24 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 123.724 0.64 . . . . 74.5 110.636 -177.751 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -71.02 -39.53 63.24 Favored Glycine 0 C--N 1.343 0.945 0 CA-C-N 115.847 -0.615 . . . . 72.099999999999994 112.298 178.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 65.6 tp -59.57 -43.38 93.61 Favored 'General case' 0 CA--C 1.554 1.101 0 C-N-CA 124.323 1.049 . . . . 72.400000000000006 110.569 174.57 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -66.42 -42.95 86.98 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 125.296 1.439 . . . . 73.409999999999997 110.871 178.669 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.448 ' HD2' ' OH ' ' A' ' 29' ' ' TYR . 0.2 OUTLIER -65.0 -42.69 94.25 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.128 0.971 . . . . 73.239999999999995 110.174 -178.693 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.403 ' HB1' ' O ' ' A' ' 48' ' ' PHE . . . -71.29 -41.23 70.25 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.153 0.981 . . . . 70.120000000000005 111.138 -177.61 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.43 -39.99 89.24 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.855 0.862 . . . . 52.450000000000003 111.296 178.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.9 tmtt? -61.24 -46.31 90.92 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.466 1.106 . . . . 72.420000000000002 110.032 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 43.5 m -76.15 -29.25 57.69 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 123.368 0.667 . . . . 71.439999999999998 112.35 179.119 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.506 HD22 ' HB2' ' A' ' 91' ' ' ALA . 1.2 tt -59.51 -52.34 65.97 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 123.763 0.825 . . . . 74.219999999999999 110.001 -176.101 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.468 ' HA ' HD12 ' A' ' 75' ' ' ILE . 14.4 ptmm? -61.87 -36.94 82.73 Favored 'General case' 0 CA--C 1.552 1.02 0 CA-C-N 115.242 -0.89 . . . . 74.230000000000004 111.827 -177.541 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -77.16 -23.72 51.59 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.775 0.83 . . . . 74.340000000000003 111.119 -178.272 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.438 ' HB2' ' HE2' ' A' ' 48' ' ' PHE . . . -69.15 -38.84 78.99 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.81 -0.632 . . . . 73.010000000000005 110.428 172.621 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.742 HD13 ' HA ' ' A' ' 88' ' ' LYS . 58.0 mt -65.32 -41.8 92.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 123.697 0.799 . . . . 52.450000000000003 111.745 -175.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 6.2 p -70.66 -14.76 62.59 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 115.813 -0.631 . . . . 72.420000000000002 111.696 175.591 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -99.69 -10.71 21.61 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 123.825 0.85 . . . . 60.350000000000001 112.304 176.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 74' ' ' ALA . 65.5 mt . . . . . 0 N--CA 1.492 1.656 0 C-N-CA 122.933 0.493 . . . . 62.219999999999999 111.228 -178.37 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 87' ' ' ALA . 8.4 pt-20 . . . . . 0 N--CA 1.489 1.488 0 CA-C-O 121.314 0.578 . . . . 74.319999999999993 111.092 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.419 ' N ' ' HG3' ' A' ' 86' ' ' GLU . . . -78.82 -27.14 44.28 Favored 'General case' 0 C--O 1.242 0.677 0 C-N-CA 124.283 1.033 . . . . 60.539999999999999 111.866 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.742 ' HA ' HD13 ' A' ' 75' ' ' ILE . 13.2 tmtt? -62.67 -47.59 83.02 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 123.62 0.768 . . . . 75.140000000000001 109.886 -179.087 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -57.51 -28.76 63.74 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 124.0 0.92 . . . . 74.25 112.252 -177.122 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 37.8 mtm -71.34 -35.28 71.11 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.573 0.749 . . . . 62.200000000000003 111.872 -178.572 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.506 ' HB2' HD22 ' A' ' 71' ' ' LEU . . . -63.67 -28.43 69.9 Favored 'General case' 0 N--CA 1.482 1.136 0 CA-C-O 119.549 -0.262 . . . . 51.299999999999997 111.477 178.55 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.498 ' O ' ' HG2' ' A' ' 96' ' ' GLU . 86.6 tttt -57.64 -48.8 78.46 Favored 'General case' 0 C--N 1.357 0.907 0 O-C-N 124.235 0.96 . . . . 74.310000000000002 109.154 173.511 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -61.74 -49.72 75.26 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 124.222 0.951 . . . . 62.310000000000002 111.29 -177.294 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.77 -32.53 70.68 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.2 0.6 . . . . 60.219999999999999 111.279 178.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.72 -40.19 56.03 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 123.56 0.744 . . . . 71.530000000000001 110.127 178.309 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.498 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 13.3 mm-40 -67.08 -35.81 80.64 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.498 0.719 . . . . 74.140000000000001 110.607 -179.737 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 40.8 m0 -67.5 -38.88 84.97 Favored 'General case' 0 C--N 1.347 0.473 0 CA-C-N 115.83 -0.623 . . . . 72.319999999999993 109.763 177.226 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 29.0 tp -63.68 -42.27 98.04 Favored 'General case' 0 CA--C 1.548 0.87 0 O-C-N 123.67 0.607 . . . . 53.340000000000003 110.332 176.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -64.89 -37.75 88.68 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.406 0.683 . . . . 73.319999999999993 111.502 176.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.84 -45.71 64.02 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.541 0.736 . . . . 62.329999999999998 110.804 -177.285 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 . . . . . 0 N--CA 1.471 0.623 0 CA-C-N 115.131 -0.94 . . . . 64.510000000000005 110.905 -179.962 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 18.8 ptp . . . . . 0 CA--C 1.55 0.947 0 N-CA-C 112.141 0.423 . . . . 74.219999999999999 112.141 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.59 -46.24 2.55 Favored Glycine 0 C--N 1.364 2.123 0 C-N-CA 122.753 0.215 . . . . 65.209999999999994 112.816 179.037 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 70.4 mtt180 -60.19 -25.93 65.96 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.643 1.177 . . . . 71.150000000000006 111.917 -177.476 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.43 ' O ' HG13 ' A' ' 31' ' ' ILE . . . -68.03 -36.35 79.78 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 122.777 0.431 . . . . 74.109999999999999 111.777 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.454 ' O ' ' HB3' ' A' ' 47' ' ' TYR . 41.7 mt -61.04 -45.37 95.04 Favored 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 109.943 -0.392 . . . . 72.120000000000005 109.943 173.028 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -53.59 -38.02 63.52 Favored 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 124.109 0.963 . . . . 71.129999999999995 110.863 178.616 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -65.19 -41.86 94.17 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.609 0.763 . . . . 72.0 111.273 176.571 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 27' ' ' ALA . 22.3 mt -64.99 -33.48 64.0 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 C-N-CA 123.466 0.707 . . . . 71.219999999999999 109.835 178.504 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.417 ' HA2' ' HA ' ' A' ' 44' ' ' ALA . . . -61.95 -47.24 91.35 Favored Glycine 0 C--N 1.353 1.495 0 CA-C-N 115.113 -0.949 . . . . 63.149999999999999 111.998 175.259 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.0 mt -58.87 -36.72 75.09 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.721 0.808 . . . . 52.030000000000001 111.371 176.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -69.93 -44.91 68.62 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.612 0.765 . . . . 75.420000000000002 112.014 -178.766 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.491 ' HD2' ' HE2' ' A' ' 47' ' ' TYR . 48.2 mttp -72.57 -27.68 62.34 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 122.544 0.338 . . . . 70.420000000000002 111.809 179.513 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -66.09 -28.42 68.81 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.443 0.697 . . . . 73.329999999999998 111.037 178.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -64.49 -33.17 75.26 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.84 0.856 . . . . 75.530000000000001 111.113 176.191 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 70.0 mtm -82.09 1.9 33.79 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.608 0.763 . . . . 55.100000000000001 111.469 177.443 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.94 4.27 90.33 Favored Glycine 0 C--N 1.349 1.275 0 C-N-CA 123.062 0.363 . . . . 62.420000000000002 112.706 -177.023 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -84.94 73.57 10.65 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-O 121.58 0.705 . . . . 61.340000000000003 109.124 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.21 -23.24 57.58 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 114.508 -1.224 . . . . 75.409999999999997 111.448 -177.696 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -72.18 -50.14 29.98 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 108.868 -0.79 . . . . 75.25 108.868 176.709 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.3 mp0 -64.01 -34.17 77.4 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 114.321 -1.309 . . . . 65.049999999999997 109.535 178.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.417 ' HA ' ' HA2' ' A' ' 32' ' ' GLY . . . -65.37 -43.48 90.6 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.963 0.905 . . . . 61.530000000000001 110.865 172.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.31 -30.29 71.34 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.137 0.975 . . . . 70.209999999999994 111.409 -178.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -56.97 -47.89 79.68 Favored 'General case' 0 C--N 1.353 0.723 0 O-C-N 123.954 0.784 . . . . 74.340000000000003 110.412 173.042 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.491 ' HE2' ' HD2' ' A' ' 35' ' ' LYS . 65.9 m-85 -74.09 -32.87 63.43 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.574 -0.739 . . . . 73.219999999999999 112.285 -176.664 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -69.77 -32.39 70.87 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 123.562 0.539 . . . . 74.25 110.623 175.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -75.59 -49.98 16.94 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.719 0.808 . . . . 75.209999999999994 111.648 178.679 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.487 ' O ' HG23 ' A' ' 54' ' ' VAL . 80.0 mtt-85 -71.52 -29.23 64.54 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 115.624 -0.716 . . . . 74.25 110.276 -175.065 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.14 -41.81 76.81 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 109.636 -0.505 . . . . 63.25 109.636 168.291 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.3 -31.67 71.51 Favored 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 123.372 0.669 . . . . 75.239999999999995 111.714 178.167 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 93.1 mt -62.81 -48.83 86.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 123.854 0.861 . . . . 64.150000000000006 109.663 172.707 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 50' ' ' ARG . 52.5 t -60.44 -42.73 92.18 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 C-N-CA 123.299 0.64 . . . . 63.229999999999997 110.708 -179.08 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -67.98 -41.69 81.95 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 115.344 -0.844 . . . . 73.209999999999994 110.774 179.609 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -65.89 -47.09 76.01 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.665 0.786 . . . . 71.420000000000002 111.749 -178.123 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -55.1 -37.38 66.76 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.515 0.726 . . . . 63.329999999999998 110.997 174.056 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -87.9 -10.69 49.91 Favored 'General case' 0 CA--C 1.551 0.987 0 CA-C-N 115.781 -0.645 . . . . 72.420000000000002 111.473 -178.261 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 70.05 37.43 1.71 Allowed 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 125.354 1.462 . . . . 75.519999999999996 113.236 176.62 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -80.09 103.54 10.04 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.086 0.954 . . . . 52.130000000000003 109.044 168.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.411 HG22 ' HB3' ' A' ' 101' ' ' GLU . 2.3 p -62.43 -48.39 79.88 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 122.775 0.43 . . . . 74.040000000000006 111.248 173.465 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -69.68 -36.81 76.31 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 123.99 0.806 . . . . 73.310000000000002 111.308 -177.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -65.58 -50.78 52.76 Favored Glycine 0 C--N 1.353 1.497 0 O-C-N 123.466 0.479 . . . . 73.209999999999994 112.242 176.277 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 65.2 tp -60.26 -39.98 88.72 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.449 1.1 . . . . 74.430000000000007 110.779 177.121 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.7 ttt180 -62.07 -46.0 91.06 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.576 1.15 . . . . 61.25 110.958 177.344 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.43 -43.53 80.95 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 115.915 -0.584 . . . . 54.350000000000001 110.002 -176.468 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.406 ' O ' ' HB2' ' A' ' 71' ' ' LEU . . . -70.13 -36.32 74.69 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.719 0.808 . . . . 71.5 111.393 -179.278 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -73.27 -38.16 66.02 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.697 0.799 . . . . 64.349999999999994 111.202 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.41 ' O ' ' HG2' ' A' ' 73' ' ' GLU . 64.3 tttt -71.54 -40.78 69.83 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 115.754 -0.657 . . . . 73.019999999999996 110.073 -178.793 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 40.6 m -68.55 -30.36 69.13 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.7 0.8 . . . . 70.109999999999999 111.16 174.238 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.493 ' O ' HG12 ' A' ' 75' ' ' ILE . 0.6 OUTLIER -62.09 -43.95 97.72 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 115.384 -0.825 . . . . 71.5 108.818 175.147 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -65.75 -38.74 89.93 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.75 0.82 . . . . 75.450000000000003 111.455 178.166 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' A' ' 69' ' ' LYS . 12.4 mm-40 -62.01 -31.65 72.05 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.114 0.565 . . . . 73.019999999999996 110.739 174.631 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.482 ' O ' HG13 ' A' ' 78' ' ' ILE . . . -72.25 -43.41 64.38 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 115.738 -0.664 . . . . 74.049999999999997 110.527 174.203 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.501 ' HA ' HD12 ' A' ' 78' ' ' ILE . 32.8 mm -59.78 -44.19 93.38 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.051 0 C-N-CA 123.398 0.679 . . . . 55.109999999999999 111.264 -174.79 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 22.3 p -67.83 -14.29 62.83 Favored 'General case' 0 CA--C 1.551 1.004 0 CA-C-N 115.656 -0.702 . . . . 73.099999999999994 112.152 -179.428 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -104.83 -12.46 16.27 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.934 0.894 . . . . 71.510000000000005 112.093 174.523 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.501 HD12 ' HA ' ' A' ' 75' ' ' ILE . 92.6 mt . . . . . 0 N--CA 1.484 1.246 0 C-N-CA 123.396 0.678 . . . . 72.310000000000002 109.321 173.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 . . . . . 0 CA--C 1.54 0.568 0 N-CA-C 108.505 -0.924 . . . . 71.019999999999996 108.505 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.455 ' HA ' ' HE2' ' A' ' 90' ' ' MET . . . -72.85 -28.54 62.59 Favored 'General case' 0 C--N 1.35 0.627 0 C-N-CA 123.738 0.815 . . . . 71.209999999999994 112.252 -172.293 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -65.01 -38.99 92.75 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.879 0.872 . . . . 71.310000000000002 109.588 178.516 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.8 mp0 -73.85 -30.65 62.78 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 114.936 -1.029 . . . . 72.129999999999995 110.543 176.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.455 ' HE2' ' HA ' ' A' ' 87' ' ' ALA . 32.8 mtm -67.66 -34.81 77.68 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.018 0.527 . . . . 74.329999999999998 110.776 173.614 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.488 ' HA ' HD13 ' A' ' 71' ' ' LEU . . . -66.34 -34.67 78.5 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.42 0.688 . . . . 22.34 110.308 174.732 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.545 ' O ' ' HG2' ' A' ' 96' ' ' GLU . 18.7 mmtt -70.3 -37.34 74.76 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-N 114.928 -1.033 . . . . 71.129999999999995 110.899 174.677 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.614 ' HA ' ' HE2' ' A' ' 93' ' ' LYS . 8.8 mmpt? -58.27 -52.7 64.47 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 122.773 0.429 . . . . 61.530000000000001 110.681 178.361 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.04 -30.06 71.3 Favored 'General case' 0 CA--C 1.546 0.815 0 O-C-N 124.271 0.982 . . . . 61.210000000000001 111.806 179.422 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.438 ' O ' ' HG3' ' A' ' 99' ' ' GLN . 4.4 tm-20 -71.36 -44.09 65.69 Favored 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 123.965 0.906 . . . . 70.040000000000006 110.096 178.181 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.545 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 28.5 mm-40 -63.68 -41.01 98.21 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.76 0.824 . . . . 61.020000000000003 111.021 177.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 52.1 m0 -61.77 -45.23 94.8 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.054 -0.976 . . . . 65.140000000000001 110.313 178.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 34.5 tp -60.61 -32.67 71.8 Favored 'General case' 0 CA--C 1.547 0.843 0 O-C-N 124.176 0.923 . . . . 73.109999999999999 111.345 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.438 ' HG3' ' O ' ' A' ' 95' ' ' GLU . 26.1 mt-30 -64.44 -48.96 73.36 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.04 0.536 . . . . 75.420000000000002 110.498 176.028 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.05 -29.68 68.71 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 115.836 -0.62 . . . . 75.25 111.656 -178.137 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.411 ' HB3' HG22 ' A' ' 61' ' ' THR . 36.8 mm-40 . . . . . 0 N--CA 1.478 0.952 0 C-N-CA 123.781 0.833 . . . . 65.049999999999997 112.318 178.565 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 9.5 ptp . . . . . 0 N--CA 1.478 0.929 0 N-CA-C 110.096 -0.335 . . . . 74.420000000000002 110.096 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.04 -55.94 3.94 Favored Glycine 0 C--N 1.348 1.247 0 C-N-CA 123.096 0.379 . . . . 60.439999999999998 113.321 -177.704 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 62.5 mtp180 -55.06 -42.14 72.37 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.785 1.234 . . . . 70.519999999999996 111.383 178.452 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.52 -41.27 94.05 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 123.958 0.786 . . . . 74.530000000000001 111.063 178.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.406 ' O ' ' HB3' ' A' ' 47' ' ' TYR . 54.1 mt -62.44 -48.35 80.06 Favored 'General case' 0 N--CA 1.484 1.226 0 O-C-N 123.634 0.584 . . . . 62.109999999999999 110.559 175.33 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -50.86 -45.08 59.68 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.586 1.154 . . . . 75.329999999999998 111.624 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 -65.08 -36.72 85.23 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.178 0.591 . . . . 63.450000000000003 111.785 179.554 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 67.3 mt -65.01 -37.05 79.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 122.861 0.464 . . . . 55.399999999999999 109.917 174.517 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -61.27 -42.11 99.69 Favored Glycine 0 C--N 1.349 1.294 0 CA-C-N 115.257 -0.883 . . . . 55.340000000000003 112.223 178.547 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 88.8 mt -57.94 -47.17 83.69 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.278 0.631 . . . . 35.509999999999998 110.134 176.595 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -57.61 -44.05 85.18 Favored 'General case' 0 CA--C 1.547 0.836 0 O-C-N 124.499 1.124 . . . . 53.210000000000001 111.858 177.57 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 44.6 mmtm -63.88 -46.68 83.83 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.458 0.703 . . . . 75.510000000000005 110.869 179.487 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -62.71 -37.7 87.53 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 124.402 1.064 . . . . 62.439999999999998 110.853 -175.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -70.02 -29.9 67.07 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 115.645 -0.707 . . . . 71.099999999999994 111.532 177.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 73.0 mtm -79.54 -2.05 40.51 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 122.826 0.451 . . . . 74.340000000000003 111.46 174.771 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.98 -4.89 84.88 Favored Glycine 0 C--N 1.352 1.454 0 C-N-CA 122.897 0.284 . . . . 71.120000000000005 112.862 -178.357 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -90.16 54.9 2.92 Favored 'General case' 0 C--O 1.238 0.495 0 C-N-CA 124.294 1.037 . . . . 74.420000000000002 110.103 -177.631 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.467 ' HA ' ' HB3' ' A' ' 44' ' ' ALA . . . -69.34 -15.83 63.41 Favored 'General case' 0 C--N 1.348 0.535 0 CA-C-N 114.454 -1.248 . . . . 42.240000000000002 111.98 -177.178 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.85 -52.02 64.74 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 108.575 -0.898 . . . . 62.399999999999999 108.575 175.422 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.435 ' O ' ' HB2' ' A' ' 46' ' ' GLU . 8.2 mp0 -69.63 -34.88 74.67 Favored 'General case' 0 C--O 1.217 -0.653 0 CA-C-N 115.02 -0.991 . . . . 74.019999999999996 110.333 176.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.467 ' HB3' ' HA ' ' A' ' 41' ' ' ALA . . . -57.01 -41.88 79.3 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 122.836 0.454 . . . . 64.030000000000001 111.03 176.143 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.83 -29.99 71.13 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 124.193 0.933 . . . . 74.209999999999994 111.691 179.51 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.435 ' HB2' ' O ' ' A' ' 43' ' ' GLU . 40.0 mm-40 -60.1 -52.75 64.0 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 123.611 0.569 . . . . 52.43 110.086 171.168 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.406 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 93.6 m-85 -65.77 -36.44 83.56 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.465 0.706 . . . . 63.219999999999999 111.821 -175.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -72.78 -32.25 65.46 Favored 'General case' 0 N--CA 1.479 0.976 0 O-C-N 123.664 0.603 . . . . 73.030000000000001 110.765 178.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.58 ' HE1' ' HB2' ' A' ' 93' ' ' LYS . 44.9 t80 -71.94 -50.55 28.0 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.002 0.521 . . . . 61.219999999999999 110.49 178.035 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 76.8 mtp180 -64.32 -37.07 86.19 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 124.049 0.843 . . . . 75.129999999999995 110.537 -178.722 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.08 -46.59 86.72 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 123.797 0.686 . . . . 75.019999999999996 109.656 173.55 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.8 -34.84 75.13 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 123.838 0.711 . . . . 65.420000000000002 111.502 -179.174 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.416 HG13 ' O ' ' A' ' 49' ' ' PHE . 68.7 mt -60.35 -50.44 80.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 C-N-CA 123.212 0.605 . . . . 63.520000000000003 109.598 173.846 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 72.1 t -61.82 -44.41 98.77 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.165 0 C-N-CA 124.03 0.932 . . . . 51.229999999999997 111.598 -177.585 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -67.4 -30.59 70.4 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.284 0.633 . . . . 72.230000000000004 111.211 178.595 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -69.72 -41.93 74.68 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.663 0.785 . . . . 74.200000000000003 111.01 176.72 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -60.16 -35.97 76.52 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.334 0.654 . . . . 71.340000000000003 111.196 172.771 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -85.09 -11.11 55.97 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 122.909 0.484 . . . . 63.310000000000002 112.014 176.231 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 81.6 m-70 60.78 25.67 15.51 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.307 1.043 . . . . 73.140000000000001 112.135 178.587 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -81.22 101.09 9.48 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.217 1.007 . . . . 72.140000000000001 108.355 176.638 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.432 HG22 ' HB3' ' A' ' 101' ' ' GLU . 18.0 p -59.86 -35.78 75.49 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.348 1.059 . . . . 74.109999999999999 112.029 -177.848 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -69.05 -50.8 45.3 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.428 0.691 . . . . 74.409999999999997 110.745 -175.369 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -70.85 -36.64 65.83 Favored Glycine 0 C--N 1.347 1.164 0 O-C-N 123.769 0.668 . . . . 74.450000000000003 113.11 179.105 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 65.6 tp -60.52 -47.28 86.86 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.766 0.826 . . . . 73.540000000000006 110.037 176.726 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 56.3 ttp180 -71.93 -29.03 63.87 Favored 'General case' 0 N--CA 1.476 0.873 0 O-C-N 124.474 1.109 . . . . 73.450000000000003 110.91 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -66.37 -49.58 66.4 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.014 0.526 . . . . 74.230000000000004 110.1 177.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.418 ' O ' ' HB2' ' A' ' 71' ' ' LEU . . . -74.03 -30.93 62.67 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.131 -0.941 . . . . 64.319999999999993 110.971 179.721 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.09 -44.47 76.17 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.115 0.566 . . . . 65.519999999999996 110.812 176.234 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.467 ' HA ' ' HE3' ' A' ' 72' ' ' LYS . 16.0 tppt? -60.3 -53.68 54.72 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 124.045 0.84 . . . . 72.239999999999995 109.45 177.181 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.1 t -64.55 -30.1 71.13 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 124.64 1.212 . . . . 61.520000000000003 111.039 -175.551 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.474 HD22 ' HB2' ' A' ' 91' ' ' ALA . 0.9 OUTLIER -60.34 -52.04 66.96 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.73 0.812 . . . . 71.239999999999995 108.922 173.768 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.467 ' HE3' ' HA ' ' A' ' 69' ' ' LYS . 8.9 mtmp? -66.83 -37.2 84.05 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.649 0.78 . . . . 64.219999999999999 111.615 -177.067 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 69' ' ' LYS . 9.9 mm-40 -74.82 -24.3 58.6 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 109.962 -0.385 . . . . 64.510000000000005 109.962 179.803 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.507 ' O ' HG13 ' A' ' 78' ' ' ILE . . . -70.32 -37.67 74.77 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-O 119.017 -0.516 . . . . 64.540000000000006 109.941 171.426 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.44 ' HA ' HD12 ' A' ' 78' ' ' ILE . 37.2 mm -53.68 -44.49 58.55 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 C-N-CA 123.931 0.892 . . . . 74.519999999999996 112.5 -173.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 11.9 t -69.52 -30.44 68.28 Favored 'General case' 0 CA--C 1.551 1.006 0 O-C-N 123.268 0.355 . . . . 71.099999999999994 110.71 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -85.22 -8.54 58.51 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.035 0.934 . . . . 74.219999999999999 111.828 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.507 HG13 ' O ' ' A' ' 74' ' ' ALA . 38.1 mt . . . . . 0 N--CA 1.484 1.241 0 C-N-CA 123.724 0.81 . . . . 54.5 111.337 -179.503 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.27 0 N-CA-C 111.769 0.285 . . . . 71.150000000000006 111.769 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -75.43 -34.34 60.99 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 112.038 0.385 . . . . 73.340000000000003 112.038 -176.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -63.35 -29.45 70.76 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.345 0.658 . . . . 73.25 110.208 176.043 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.586 ' HA ' ' HD3' ' A' ' 92' ' ' LYS . 6.5 mm-40 -73.28 -39.41 65.38 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.71 0.804 . . . . 63.039999999999999 110.502 178.733 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 47.0 mtm -63.66 -34.0 76.87 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 116.054 -0.521 . . . . 75.030000000000001 110.738 174.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.474 ' HB2' HD22 ' A' ' 71' ' ' LEU . . . -61.34 -26.89 68.11 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 115.523 -0.762 . . . . 60.439999999999998 111.792 177.213 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.586 ' HD3' ' HA ' ' A' ' 89' ' ' GLU . 14.1 mptt -60.95 -43.05 99.25 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 123.215 0.322 . . . . 64.310000000000002 110.592 173.02 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.58 ' HB2' ' HE1' ' A' ' 49' ' ' PHE . 73.4 mmtt -59.6 -46.64 88.37 Favored 'General case' 0 N--CA 1.48 1.046 0 O-C-N 123.713 0.633 . . . . 70.209999999999994 110.175 -179.128 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.46 -32.35 68.65 Favored 'General case' 0 CA--C 1.548 0.903 0 O-C-N 124.431 1.082 . . . . 74.409999999999997 111.855 178.731 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.413 ' O ' ' HG3' ' A' ' 99' ' ' GLN . 48.1 mt-10 -72.12 -47.86 48.01 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.523 0.729 . . . . 43.009999999999998 110.28 174.589 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.438 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 32.3 mm-40 -60.86 -37.65 82.86 Favored 'General case' 0 N--CA 1.483 1.189 0 O-C-N 123.996 0.81 . . . . 75.310000000000002 111.446 -175.164 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 29.5 m0 -68.82 -43.45 75.55 Favored 'General case' 0 C--O 1.224 -0.249 0 O-C-N 124.192 0.932 . . . . 72.5 110.193 177.576 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 52.6 tp -61.9 -43.71 98.28 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 123.56 0.537 . . . . 75.019999999999996 110.828 179.216 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.413 ' HG3' ' O ' ' A' ' 95' ' ' GLU . 74.8 mt-30 -67.7 -30.69 70.27 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.656 0.782 . . . . 65.519999999999996 110.655 -179.49 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -69.85 -41.63 74.64 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.483 0.713 . . . . 71.099999999999994 110.755 175.164 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.432 ' HB3' HG22 ' A' ' 61' ' ' THR . 61.5 mm-40 . . . . . 0 N--CA 1.474 0.749 0 C-N-CA 123.524 0.73 . . . . 63.32 111.681 -178.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 11.4 mtm . . . . . 0 CA--C 1.542 0.649 0 N-CA-C 109.58 -0.526 . . . . 74.430000000000007 109.58 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.77 -44.66 1.49 Allowed Glycine 0 N--CA 1.468 0.798 0 N-CA-C 109.544 -1.422 . . . . 73.430000000000007 109.544 -170.384 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.3 tpp180 -59.88 -40.44 88.69 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 124.136 0.975 . . . . 74.430000000000007 109.631 174.035 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.29 -43.21 78.63 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.069 0.948 . . . . 74.450000000000003 111.417 176.502 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.541 HD23 HD12 ' A' ' 31' ' ' ILE . 36.5 mt -65.07 -45.71 84.21 Favored 'General case' 0 C--N 1.361 1.077 0 O-C-N 123.482 0.488 . . . . 61.420000000000002 110.854 178.381 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.413 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 78.5 t80 -52.74 -42.17 64.69 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.04 0.936 . . . . 75.099999999999994 110.625 175.163 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.427 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 57.7 m-80 -73.1 -31.15 64.16 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 123.671 0.788 . . . . 73.230000000000004 112.696 -177.66 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.541 HD12 HD23 ' A' ' 28' ' ' LEU . 73.4 mt -65.95 -38.82 82.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 N-CA-C 109.189 -0.671 . . . . 71.5 109.189 172.185 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.475 ' HA2' ' HA ' ' A' ' 44' ' ' ALA . . . -61.03 -40.28 98.28 Favored Glycine 0 C--N 1.349 1.275 0 CA-C-N 114.289 -1.323 . . . . 72.439999999999998 112.042 175.461 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 29' ' ' TYR . 83.0 mt -59.79 -41.67 91.68 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.088 0.555 . . . . 72.120000000000005 110.726 177.627 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 30' ' ' ASN . 14.9 mm-40 -72.25 -38.88 68.79 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.17 0.588 . . . . 73.099999999999994 112.106 -175.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -77.12 -32.79 56.71 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 111.445 0.165 . . . . 64.510000000000005 111.445 -179.517 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -67.94 -33.11 74.05 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 109.419 -0.586 . . . . 73.230000000000004 109.419 173.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -65.82 -36.34 83.21 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 125.154 1.381 . . . . 72.120000000000005 110.652 175.031 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 68.9 mtm -91.61 10.15 29.25 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.606 0.762 . . . . 72.400000000000006 111.62 178.618 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 92.73 -15.64 62.12 Favored Glycine 0 C--N 1.357 1.696 0 N-CA-C 114.395 0.518 . . . . 70.420000000000002 114.395 171.523 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 40.2 mtmt -84.35 70.05 10.57 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 123.752 0.821 . . . . 74.329999999999998 109.741 -177.531 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.48 -15.03 61.33 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 114.881 -1.054 . . . . 74.230000000000004 112.776 -173.656 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.4 ttp180 -71.53 -53.14 14.81 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.324 0.649 . . . . 75.530000000000001 111.112 176.641 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -59.17 -44.0 92.13 Favored 'General case' 0 N--CA 1.48 1.075 0 O-C-N 123.787 0.679 . . . . 74.329999999999998 109.456 175.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.475 ' HA ' ' HA2' ' A' ' 32' ' ' GLY . . . -53.73 -45.12 70.4 Favored 'General case' 0 C--N 1.346 0.414 0 CA-C-N 114.197 -1.365 . . . . 64.109999999999999 111.636 178.22 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.42 -38.01 85.57 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 124.223 0.952 . . . . 62.329999999999998 111.899 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -64.48 -39.03 93.03 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.172 0.589 . . . . 74.400000000000006 110.689 177.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.502 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 55.2 m-85 -71.46 -35.73 70.96 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.17 0.588 . . . . 75.209999999999994 112.015 -179.743 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.419 ' O ' ' HB1' ' A' ' 67' ' ' ALA . 23.3 m-85 -65.88 -38.83 89.82 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 123.698 0.623 . . . . 74.230000000000004 110.146 174.063 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -64.18 -51.55 63.22 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.4 0.68 . . . . 75.319999999999993 110.92 178.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -61.02 -37.41 82.44 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.756 0.823 . . . . 74.209999999999994 110.845 179.666 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.47 -49.57 77.05 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 115.332 -0.849 . . . . 63.43 109.794 175.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.33 -31.42 71.28 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 114.8 -1.091 . . . . 71.409999999999997 111.901 -177.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.422 HG22 ' HE3' ' A' ' 57' ' ' LYS . 87.9 mt -59.07 -48.65 86.02 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 C-N-CA 123.748 0.819 . . . . 74.099999999999994 110.458 174.178 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 40.1 t -66.93 -41.16 87.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 123.732 0.813 . . . . 64.439999999999998 110.228 -177.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -72.77 -26.68 61.63 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 111.94 0.348 . . . . 74.530000000000001 111.94 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -70.49 -49.25 50.37 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 122.944 0.497 . . . . 72.230000000000004 111.211 177.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.422 ' HE3' HG22 ' A' ' 53' ' ' ILE . 17.0 ptpt -66.94 -28.13 68.04 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.156 0.582 . . . . 73.230000000000004 112.274 178.049 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.34 -11.53 56.18 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 122.841 0.456 . . . . 71.329999999999998 111.219 171.285 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 59.24 27.94 17.12 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 124.671 1.188 . . . . 71.030000000000001 111.535 -177.231 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -79.49 89.83 5.06 Favored 'General case' 0 C--N 1.349 0.581 0 N-CA-C 108.095 -1.076 . . . . 63.43 108.095 174.332 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 55.8 p -60.96 -26.38 67.49 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 114.628 -1.169 . . . . 75.540000000000006 112.028 -175.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.469 ' O ' ' HG2' ' A' ' 66' ' ' ARG . 8.6 t70 -61.7 -61.92 2.17 Favored 'General case' 0 C--N 1.353 0.752 0 O-C-N 123.727 0.642 . . . . 73.209999999999994 110.716 178.058 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -69.48 -33.66 72.72 Favored Glycine 0 C--N 1.348 1.207 0 O-C-N 124.037 0.835 . . . . 54.520000000000003 112.616 -173.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 65.1 tp -61.91 -43.75 98.2 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.022 0.929 . . . . 65.219999999999999 110.02 174.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 21.5 ttt180 -71.7 -34.97 70.06 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 115.642 -0.708 . . . . 75.150000000000006 110.606 178.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.469 ' HG2' ' O ' ' A' ' 62' ' ' ASP . 30.6 mmt180 -60.31 -48.36 82.06 Favored 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 109.565 -0.532 . . . . 74.140000000000001 109.565 176.592 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.419 ' HB1' ' O ' ' A' ' 48' ' ' PHE . . . -66.42 -44.43 82.94 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 114.915 -1.039 . . . . 71.430000000000007 111.491 -177.742 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.81 -40.53 91.97 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.758 0.823 . . . . 74.239999999999995 112.225 -179.425 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -72.28 -39.81 68.06 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.538 1.135 . . . . 61.340000000000003 109.68 -178.361 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 20.8 t -72.22 -30.3 64.78 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.644 0.778 . . . . 71.109999999999999 110.57 178.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.496 HD13 ' HA ' ' A' ' 91' ' ' ALA . 4.3 mt -60.72 -53.71 54.05 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.156 0.982 . . . . 73.439999999999998 111.097 177.508 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -58.45 -39.92 81.19 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 123.58 0.752 . . . . 74.150000000000006 111.419 -177.564 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -73.04 -32.2 64.91 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 115.846 -0.615 . . . . 74.329999999999998 110.758 177.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.545 ' O ' HG13 ' A' ' 78' ' ' ILE . . . -65.44 -31.81 73.1 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 116.283 -0.417 . . . . 74.109999999999999 110.496 175.383 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.411 HG12 ' O ' ' A' ' 71' ' ' LEU . 17.1 mm -66.29 -49.8 73.03 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 C-N-CA 123.233 0.613 . . . . 73.030000000000001 111.037 -177.091 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.0 t -67.68 -17.08 64.46 Favored 'General case' 0 CA--C 1.551 1.001 0 CA-C-N 116.019 -0.537 . . . . 71.299999999999997 110.767 176.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.39 -16.39 29.19 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.022 0.929 . . . . 72.040000000000006 112.428 177.717 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.545 HG13 ' O ' ' A' ' 74' ' ' ALA . 64.7 mt . . . . . 0 N--CA 1.484 1.232 0 N-CA-C 108.847 -0.797 . . . . 72.0 108.847 176.424 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 . . . . . 0 N--CA 1.477 0.914 0 CA-C-O 121.167 0.508 . . . . 52.219999999999999 109.873 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.469 ' HA ' ' HE2' ' A' ' 90' ' ' MET . . . -77.08 -27.99 54.41 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.522 -0.763 . . . . 74.099999999999994 111.864 -172.029 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -69.86 -29.66 66.95 Favored 'General case' 0 CA--C 1.547 0.83 0 O-C-N 123.381 0.425 . . . . 54.409999999999997 110.51 178.305 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -66.87 -34.36 77.62 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.782 0.833 . . . . 70.329999999999998 110.534 174.507 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.469 ' HE2' ' HA ' ' A' ' 87' ' ' ALA . 50.2 mtm -74.8 -34.62 62.44 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.845 0.858 . . . . 73.219999999999999 110.438 176.194 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.496 ' HA ' HD13 ' A' ' 71' ' ' LEU . . . -61.17 -40.91 95.67 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 124.053 0.846 . . . . 74.430000000000007 110.514 174.665 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.473 ' O ' ' HG2' ' A' ' 96' ' ' GLU . 29.2 mmtp -71.81 -39.47 69.81 Favored 'General case' 0 C--O 1.216 -0.68 0 CA-C-N 115.064 -0.971 . . . . 73.129999999999995 111.21 176.693 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.3 mmtm -56.11 -49.76 72.96 Favored 'General case' 0 N--CA 1.494 1.728 0 C-N-CA 123.452 0.701 . . . . 62.340000000000003 111.31 178.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.465 ' HA ' ' CE3' ' A' ' 97' ' ' TRP . . . -67.7 -32.14 72.59 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.212 0.605 . . . . 71.299999999999997 111.792 179.341 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.24 -35.18 68.77 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 123.414 0.685 . . . . 71.329999999999998 109.866 178.222 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 13.2 mm-40 -70.43 -31.62 68.88 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.513 0.725 . . . . 73.439999999999998 110.234 178.375 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' TRP . . . . . 0.465 ' CE3' ' HA ' ' A' ' 94' ' ' ALA . 38.0 m0 -68.97 -38.13 79.2 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 123.698 0.624 . . . . 61.25 110.297 173.351 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 48.0 tp -64.0 -42.51 97.15 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 123.539 0.524 . . . . 75.519999999999996 110.155 176.273 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 -67.17 -29.88 69.7 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.568 0.747 . . . . 74.040000000000006 111.123 177.526 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.01 -42.57 84.73 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.372 0.669 . . . . 64.209999999999994 110.656 175.567 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 . . . . . 0 N--CA 1.475 0.795 0 C-N-CA 123.561 0.744 . . . . 74.409999999999997 110.98 178.137 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 3.8 mpp? . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 113.52 0.933 . . . . 71.530000000000001 113.52 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -50.34 -39.64 36.34 Favored Glycine 0 N--CA 1.483 1.828 0 N-CA-C 115.893 1.117 . . . . 71.099999999999994 115.893 -168.473 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 51.7 mtp180 -73.03 -27.16 61.61 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.167 0.587 . . . . 74.510000000000005 112.153 -179.027 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.466 ' O ' HG13 ' A' ' 31' ' ' ILE . . . -59.28 -46.68 87.88 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 122.83 0.452 . . . . 73.430000000000007 110.887 -179.6 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.619 HD23 HD12 ' A' ' 31' ' ' ILE . 12.6 mt -60.22 -39.14 85.57 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 123.574 0.546 . . . . 74.209999999999994 111.262 175.666 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -59.54 -41.05 89.19 Favored 'General case' 0 CA--C 1.547 0.851 0 O-C-N 123.894 0.746 . . . . 72.319999999999993 110.632 177.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 62.1 m-80 -67.59 -34.97 78.09 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.017 0.527 . . . . 74.400000000000006 111.729 178.314 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.619 HD12 HD23 ' A' ' 28' ' ' LEU . 50.7 mt -67.24 -38.42 80.96 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.215 0 CA-C-O 121.442 0.639 . . . . 72.019999999999996 109.739 178.597 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.89 -46.92 92.58 Favored Glycine 0 C--N 1.349 1.263 0 CA-C-N 114.791 -1.095 . . . . 52.329999999999998 111.831 174.681 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 91.1 mt -57.62 -36.08 71.32 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.65 0.78 . . . . 75.120000000000005 111.581 179.381 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -62.42 -51.75 66.3 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.648 0.779 . . . . 70.409999999999997 111.791 178.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.469 ' HB3' ' HB2' ' A' ' 40' ' ' LYS . 89.5 mttt -71.33 -37.66 71.72 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 122.801 0.441 . . . . 74.239999999999995 111.602 -178.21 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -60.67 -41.4 94.99 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.969 0.907 . . . . 73.329999999999998 110.273 179.134 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 48.9 tttm -67.9 -29.59 68.72 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 125.3 1.44 . . . . 71.450000000000003 111.264 178.615 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 71.3 mtm -87.09 0.91 54.49 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 123.366 0.666 . . . . 53.450000000000003 111.804 174.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 92.3 -9.46 76.15 Favored Glycine 0 C--N 1.353 1.496 0 C-N-CA 123.048 0.356 . . . . 63.509999999999998 113.814 178.081 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.469 ' HB2' ' HB3' ' A' ' 35' ' ' LYS . 58.3 mttm -78.45 64.78 3.6 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.531 1.132 . . . . 60.450000000000003 109.72 176.639 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.11 -20.02 46.02 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.632 0.773 . . . . 65.540000000000006 112.389 -170.679 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? -69.41 -46.39 66.96 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 108.795 -0.816 . . . . 60.350000000000001 108.795 172.622 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -64.78 -41.38 95.88 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 114.532 -1.213 . . . . 74.049999999999997 110.61 178.592 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.18 -44.22 87.9 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 124.403 1.081 . . . . 72.230000000000004 111.513 176.132 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.62 -33.75 68.57 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 124.62 1.2 . . . . 65.030000000000001 111.944 -178.44 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -63.17 -47.36 82.98 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 124.003 0.921 . . . . 70.450000000000003 110.713 177.043 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.448 ' HE2' ' HD2' ' A' ' 35' ' ' LYS . 86.0 m-85 -69.88 -36.4 75.42 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 115.559 -0.746 . . . . 71.099999999999994 111.377 -178.136 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.495 ' HB2' ' HG ' ' A' ' 71' ' ' LEU . 20.4 m-85 -66.95 -34.12 77.06 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 123.892 0.745 . . . . 73.25 110.765 176.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -70.27 -51.98 26.39 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 123.701 0.626 . . . . 74.219999999999999 111.202 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.463 ' O ' HG23 ' A' ' 54' ' ' VAL . 99.5 mtt180 -62.55 -38.16 88.97 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 124.101 0.876 . . . . 73.239999999999995 110.368 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.2 -45.42 93.21 Favored 'General case' 0 C--N 1.354 0.775 0 O-C-N 123.796 0.685 . . . . 75.140000000000001 110.03 173.288 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.61 -36.0 81.36 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.733 0.813 . . . . 34.130000000000003 112.037 -178.409 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 98.0 mt -60.32 -41.99 89.14 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 C-N-CA 123.751 0.82 . . . . 71.219999999999999 110.118 174.5 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 50' ' ' ARG . 49.5 t -73.65 -35.05 43.18 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 CA-C-N 115.234 -0.894 . . . . 74.150000000000006 110.777 -178.484 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -70.95 -28.56 64.56 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.247 0.619 . . . . 75.049999999999997 111.217 175.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.408 ' CD1' ' HB3' ' A' ' 97' ' ' TRP . 34.5 t80 -77.26 -47.51 19.94 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.31 0.644 . . . . 64.340000000000003 111.584 -178.308 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.0 -34.93 75.58 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.003 0.521 . . . . 63.109999999999999 112.325 176.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -84.27 -11.93 55.57 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 122.566 0.347 . . . . 60.229999999999997 110.817 175.181 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 63.81 33.85 12.39 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 125.534 1.534 . . . . 73.209999999999994 112.363 177.138 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -80.79 93.1 6.16 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 108.371 -0.974 . . . . 55.240000000000002 108.371 175.655 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.421 HG22 ' HB3' ' A' ' 101' ' ' GLU . 6.9 p -54.63 -39.47 67.97 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.156 0.982 . . . . 72.209999999999994 112.869 -178.376 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -62.25 -54.08 45.87 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.859 0.724 . . . . 75.450000000000003 111.087 -179.303 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -73.08 -34.54 58.36 Favored Glycine 0 C--N 1.342 0.887 0 O-C-N 124.265 0.978 . . . . 64.430000000000007 113.113 -173.428 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.513 HD23 ' HG3' ' A' ' 101' ' ' GLU . 51.4 tp -64.28 -45.54 87.57 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.282 0.633 . . . . 74.439999999999998 109.919 175.437 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.465 ' O ' ' HG2' ' A' ' 69' ' ' LYS . 43.3 ttt-85 -60.05 -41.94 93.4 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 124.19 0.931 . . . . 71.319999999999993 110.759 173.112 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.0 ttt180 -65.15 -42.09 94.12 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.517 1.127 . . . . 72.109999999999999 110.15 -174.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.529 ' O ' ' HB2' ' A' ' 71' ' ' LEU . . . -75.04 -34.39 61.85 Favored 'General case' 0 C--N 1.346 0.448 0 CA-C-N 114.493 -1.231 . . . . 65.310000000000002 110.727 178.093 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.8 -47.66 68.48 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.08 0.952 . . . . 52.310000000000002 112.058 -177.326 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.465 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 70.2 mmtt -68.1 -48.23 66.06 Favored 'General case' 0 C--O 1.22 -0.498 0 CA-C-N 115.303 -0.862 . . . . 75.299999999999997 109.99 179.706 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 13.6 t -63.71 -29.93 71.09 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.384 0.673 . . . . 53.020000000000003 111.333 -178.764 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.529 ' HB2' ' O ' ' A' ' 67' ' ' ALA . 0.9 OUTLIER -63.27 -51.9 64.26 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.959 0.904 . . . . 72.150000000000006 108.732 173.638 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.7 ttpp -66.07 -31.81 72.91 Favored 'General case' 0 CA--C 1.552 1.043 0 CA-C-N 114.611 -1.177 . . . . 75.420000000000002 111.397 -177.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' A' ' 69' ' ' LYS . 23.9 mm-40 -74.67 -30.41 61.57 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.455 0.702 . . . . 70.129999999999995 109.845 176.346 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.441 ' O ' HG13 ' A' ' 78' ' ' ILE . . . -68.99 -34.54 75.47 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 116.068 -0.514 . . . . 44.549999999999997 110.209 174.334 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.412 HG12 ' O ' ' A' ' 71' ' ' LEU . 23.5 mm -62.92 -46.36 96.53 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 C-N-CA 123.032 0.533 . . . . 63.340000000000003 112.022 -176.826 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 14.7 t -71.16 -15.21 62.48 Favored 'General case' 0 CA--C 1.551 0.987 0 CA-C-N 115.798 -0.637 . . . . 64.430000000000007 111.211 179.098 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -100.89 0.26 38.12 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 124.113 0.965 . . . . 64.430000000000007 112.149 177.37 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 74' ' ' ALA . 62.8 mt . . . . . 0 N--CA 1.486 1.333 0 C-N-CA 122.986 0.514 . . . . 75.340000000000003 109.902 176.673 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.904 0 CA-C-O 120.765 0.316 . . . . 70.409999999999997 111.303 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.46 -27.88 63.57 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.241 -0.436 . . . . 73.109999999999999 110.493 176.416 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.461 ' O ' ' HG3' ' A' ' 92' ' ' LYS . 77.5 tttt -72.84 -30.35 63.95 Favored 'General case' 0 C--O 1.214 -0.8 0 CA-C-N 116.314 -0.403 . . . . 63.049999999999997 110.807 177.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -53.75 -37.36 63.32 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.192 0.597 . . . . 70.420000000000002 110.238 174.711 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 49.3 mtm -67.57 -40.57 84.89 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 114.5 -1.227 . . . . 64.209999999999994 110.968 177.287 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.451 ' HA ' HD13 ' A' ' 71' ' ' LEU . . . -62.55 -44.09 97.21 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.294 0.637 . . . . 62.310000000000002 110.331 175.506 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.517 ' O ' ' HG2' ' A' ' 96' ' ' GLU . 83.3 mttt -60.31 -42.12 94.9 Favored 'General case' 0 C--N 1.352 0.708 0 O-C-N 124.353 1.033 . . . . 55.539999999999999 109.906 179.625 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 67.6 mmtt -57.99 -50.86 71.94 Favored 'General case' 0 N--CA 1.482 1.166 0 O-C-N 124.478 1.111 . . . . 73.010000000000005 111.014 178.727 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.64 -33.12 74.39 Favored 'General case' 0 CA--C 1.547 0.846 0 O-C-N 124.219 0.949 . . . . 52.039999999999999 111.435 -179.083 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -73.68 -38.19 65.0 Favored 'General case' 0 CA--C 1.55 0.97 0 CA-C-N 115.348 -0.842 . . . . 73.540000000000006 110.86 174.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.517 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 32.8 mm-40 -60.7 -47.19 87.38 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 123.78 0.832 . . . . 71.230000000000004 110.065 179.352 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' TRP . . . . . 0.529 ' O ' ' HG2' ' A' ' 101' ' ' GLU . 39.0 m0 -62.09 -44.32 96.91 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-N 114.023 -1.444 . . . . 71.540000000000006 110.119 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 54.3 tp -59.24 -45.98 89.71 Favored 'General case' 0 CA--C 1.549 0.92 0 O-C-N 124.245 0.966 . . . . 73.420000000000002 111.875 179.37 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -61.25 -35.5 77.44 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 123.882 0.873 . . . . 71.0 110.929 177.69 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -75.06 -30.99 61.15 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 115.095 -0.957 . . . . 71.219999999999999 111.096 179.664 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.529 ' HG2' ' O ' ' A' ' 97' ' ' TRP . 16.9 mm-40 . . . . . 0 N--CA 1.477 0.895 0 C-N-CA 123.794 0.837 . . . . 73.340000000000003 111.074 176.388 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 3.6 mpp? . . . . . 0 N--CA 1.478 0.935 0 CA-C-O 121.302 0.572 . . . . 53.329999999999998 112.042 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.8 -56.45 2.6 Favored Glycine 0 C--N 1.348 1.195 0 N-CA-C 110.18 -1.168 . . . . 64.150000000000006 110.18 -171.696 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -57.69 -35.14 70.2 Favored 'General case' 0 C--N 1.35 0.615 0 C-N-CA 123.571 0.748 . . . . 51.229999999999997 111.051 178.062 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.44 -54.2 46.55 Favored 'General case' 0 C--N 1.354 0.782 0 O-C-N 123.809 0.693 . . . . 72.219999999999999 110.339 178.703 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.529 HD13 ' HB2' ' A' ' 50' ' ' ARG . 27.8 mt -58.07 -36.32 72.64 Favored 'General case' 0 C--N 1.359 0.998 0 O-C-N 123.315 0.384 . . . . 71.140000000000001 111.506 -178.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -61.04 -53.69 54.07 Favored 'General case' 0 CA--C 1.559 1.301 0 C-N-CA 123.295 0.638 . . . . 73.040000000000006 110.685 176.302 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -65.58 -43.61 89.22 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.337 0.655 . . . . 74.530000000000001 111.959 -174.048 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.515 HG22 ' HE2' ' A' ' 35' ' ' LYS . 20.2 mt -69.95 -35.75 65.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 123.8 0.84 . . . . 64.5 109.45 179.341 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -60.91 -38.29 95.16 Favored Glycine 0 C--N 1.351 1.388 0 CA-C-N 115.445 -0.798 . . . . 64.310000000000002 112.73 179.137 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.6 mt -59.14 -39.14 81.47 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.333 0.653 . . . . 72.310000000000002 110.722 174.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -66.67 -39.08 88.0 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.675 0.79 . . . . 61.140000000000001 111.864 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.515 ' HE2' HG22 ' A' ' 31' ' ' ILE . 4.8 mptp? -62.06 -49.94 73.97 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.194 0.598 . . . . 70.409999999999997 109.89 173.052 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -58.21 -39.71 79.7 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 124.479 1.112 . . . . 74.519999999999996 110.851 -176.192 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.1 ttpp -58.56 -37.3 75.45 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.722 1.209 . . . . 64.400000000000006 112.463 179.464 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 54.1 mtm -84.18 -17.06 41.2 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 122.607 0.363 . . . . 64.450000000000003 111.871 -179.102 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 105.86 10.4 30.56 Favored Glycine 0 C--N 1.341 0.858 0 O-C-N 123.537 0.523 . . . . 34.219999999999999 112.88 -176.625 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.402 ' HB2' ' HB3' ' A' ' 35' ' ' LYS . 70.6 mmtt -83.66 57.03 3.87 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 108.165 -1.05 . . . . 60.210000000000001 108.165 171.826 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.477 ' HB1' ' O ' ' A' ' 74' ' ' ALA . . . -74.0 -27.92 61.2 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.635 0.774 . . . . 74.129999999999995 111.789 -169.348 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.473 HH11 ' HB2' ' A' ' 87' ' ' ALA . 27.4 tpt180 -64.83 -52.47 56.55 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.678 0.791 . . . . 75.430000000000007 109.907 172.025 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -66.15 -32.26 73.6 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.058 -0.974 . . . . 74.439999999999998 110.855 -178.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.7 -44.86 76.71 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 123.585 0.754 . . . . 43.549999999999997 110.594 178.726 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.23 -36.58 78.04 Favored 'General case' 0 C--N 1.349 0.576 0 O-C-N 124.28 0.988 . . . . 73.109999999999999 111.092 -179.636 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -57.55 -49.34 76.69 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.681 0.793 . . . . 61.009999999999998 110.516 173.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.476 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 3.5 m-85 -61.46 -45.87 92.43 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 115.093 -0.958 . . . . 74.230000000000004 111.519 -178.487 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.528 ' HB2' ' HG ' ' A' ' 71' ' ' LEU . 27.3 m-85 -66.04 -31.53 72.47 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 122.955 0.502 . . . . 73.140000000000001 111.653 -179.167 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -71.67 -52.15 19.36 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.486 0.714 . . . . 74.310000000000002 111.109 -179.336 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.529 ' HB2' HD13 ' A' ' 28' ' ' LEU . 44.9 mtt180 -67.34 -30.83 70.75 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 115.335 -0.848 . . . . 72.120000000000005 110.155 -178.829 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.48 -48.3 80.22 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 115.266 -0.879 . . . . 72.400000000000006 109.667 171.281 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.57 -30.93 71.97 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 124.432 1.083 . . . . 65.129999999999995 111.832 -178.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 80.2 mt -60.91 -44.42 97.86 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 C-N-CA 123.535 0.734 . . . . 73.530000000000001 110.53 173.605 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 47.5 t -70.03 -43.44 79.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 123.062 0.545 . . . . 74.019999999999996 110.074 178.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -64.1 -28.54 69.85 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.098 0.559 . . . . 75.030000000000001 111.632 179.24 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -72.45 -53.99 10.58 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.272 0.629 . . . . 62.140000000000001 111.0 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -66.25 -32.0 73.16 Favored 'General case' 0 N--CA 1.484 1.263 0 CA-C-N 116.308 -0.406 . . . . 71.140000000000001 111.509 179.537 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -86.36 -2.12 58.14 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 122.883 0.473 . . . . 74.409999999999997 111.099 175.678 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 57.68 27.07 13.76 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 124.735 1.214 . . . . 74.239999999999995 112.298 173.162 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -81.98 83.43 7.26 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.91 1.284 . . . . 65.129999999999995 108.488 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.685 HG22 ' HB3' ' A' ' 101' ' ' GLU . 25.7 p -55.64 -35.74 66.25 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.794 1.238 . . . . 71.409999999999997 112.414 -179.119 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -56.47 -54.39 46.25 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.753 1.221 . . . . 72.140000000000001 111.251 179.398 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -76.03 -39.09 33.57 Favored Glycine 0 C--N 1.344 1.004 0 CA-C-N 115.234 -0.894 . . . . 70.319999999999993 112.708 -177.143 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 44.2 tp -61.93 -41.86 98.43 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.478 0.711 . . . . 74.120000000000005 110.982 -178.741 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -65.94 -45.73 80.79 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.892 0.877 . . . . 73.299999999999997 110.531 -178.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -74.58 -30.09 61.58 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 114.93 -1.032 . . . . 73.340000000000003 110.866 -176.464 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.425 ' O ' ' HB2' ' A' ' 71' ' ' LEU . . . -75.23 -32.17 61.05 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.378 0.671 . . . . 55.520000000000003 110.467 176.006 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.65 -40.79 84.52 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.709 0.804 . . . . 72.5 110.324 175.437 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 23.4 mmmt -58.36 -53.22 60.8 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 114.599 -1.182 . . . . 63.229999999999997 110.904 172.649 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 62.4 m -68.09 -29.51 68.47 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.124 0.569 . . . . 73.409999999999997 112.142 -177.577 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.528 ' HG ' ' HB2' ' A' ' 48' ' ' PHE . 0.6 OUTLIER -63.68 -54.97 27.26 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.652 0.781 . . . . 55.149999999999999 109.555 -178.379 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -68.66 -35.21 76.94 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 115.87 -0.605 . . . . 74.420000000000002 112.149 -175.524 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -75.49 -23.74 56.81 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.274 0.63 . . . . 73.430000000000007 111.259 -178.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.477 ' O ' ' HB1' ' A' ' 41' ' ' ALA . . . -75.06 -35.91 61.82 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 122.69 0.396 . . . . 61.420000000000002 110.499 170.391 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.724 HD13 ' HA ' ' A' ' 88' ' ' LYS . 81.7 mt -71.47 -38.0 66.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 123.33 0.652 . . . . 62.25 112.076 -178.646 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 41.2 p -69.39 -16.81 63.59 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 116.533 -0.303 . . . . 72.319999999999993 110.843 174.162 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -85.68 -20.43 29.41 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.291 0.636 . . . . 64.409999999999997 111.435 173.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 28.2 mt . . . . . 0 N--CA 1.482 1.171 0 N-CA-C 107.767 -1.197 . . . . 73.140000000000001 107.767 170.358 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 . . . . . 0 N--CA 1.484 1.265 0 N-CA-C 111.774 0.287 . . . . 64.219999999999999 111.774 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.473 ' HB2' HH11 ' A' ' 42' ' ' ARG . . . -66.33 -24.34 66.51 Favored 'General case' 0 C--N 1.353 0.748 0 C-N-CA 122.816 0.447 . . . . 64.409999999999997 111.341 175.185 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.724 ' HA ' HD13 ' A' ' 75' ' ' ILE . 14.1 tmtt? -59.27 -33.61 71.26 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.42 1.088 . . . . 62.43 112.314 -172.226 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -61.21 -31.7 71.47 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.914 0.885 . . . . 73.439999999999998 111.74 178.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 50.0 mtm -65.07 -33.53 76.27 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.347 0.659 . . . . 70.019999999999996 111.931 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.559 ' HB2' HD12 ' A' ' 75' ' ' ILE . . . -58.02 -48.05 81.21 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 123.52 0.512 . . . . 73.319999999999993 110.327 173.838 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.457 ' O ' ' HG2' ' A' ' 96' ' ' GLU . 86.9 tttt -58.59 -43.2 89.43 Favored 'General case' 0 C--N 1.355 0.84 0 O-C-N 124.221 0.95 . . . . 74.310000000000002 110.776 176.762 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt -56.08 -51.54 67.49 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 124.276 0.985 . . . . 74.219999999999999 111.504 -178.423 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.62 -31.93 72.87 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 123.882 0.739 . . . . 75.319999999999993 111.944 -178.069 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -75.92 -37.35 58.84 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.804 0.842 . . . . 73.340000000000003 111.287 178.228 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 52.6 mm-40 -63.18 -41.55 99.24 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-O 121.461 0.648 . . . . 73.5 109.662 177.263 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 50.4 m0 -64.78 -42.23 95.25 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 114.256 -1.338 . . . . 64.549999999999997 110.487 175.594 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 42.3 tp -63.05 -31.46 72.61 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 124.218 0.949 . . . . 64.129999999999995 111.498 -178.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -67.15 -49.06 66.12 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 122.906 0.482 . . . . 72.319999999999993 110.259 174.609 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.39 64.18 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.26 0.624 . . . . 51.310000000000002 111.868 179.095 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.685 ' HB3' HG22 ' A' ' 61' ' ' THR . 76.2 mm-40 . . . . . 0 CA--C 1.544 0.723 0 CA-C-N 115.349 -0.841 . . . . 62.0 112.068 177.573 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 28.4 mtm . . . . . 0 CA--C 1.544 0.712 0 N-CA-C 109.09 -0.708 . . . . 72.310000000000002 109.09 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.17 -37.09 3.66 Favored Glycine 0 N--CA 1.473 1.101 0 N-CA-C 111.796 -0.522 . . . . 31.239999999999998 111.796 178.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.437 ' HA ' ' HZ ' ' A' ' 55' ' ' PHE . 73.8 ttt180 -68.13 -38.0 81.73 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.552 0.741 . . . . 63.119999999999997 109.496 174.103 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.406 ' O ' HG13 ' A' ' 31' ' ' ILE . . . -59.64 -43.19 93.95 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-N 115.369 -0.832 . . . . 63.310000000000002 111.101 173.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.28 -41.8 85.16 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 124.487 1.115 . . . . 74.540000000000006 110.462 -178.654 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -57.83 -41.62 82.66 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 114.999 -1.0 . . . . 74.129999999999995 111.401 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.41 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 21.7 m120 -67.03 -40.07 87.15 Favored 'General case' 0 N--CA 1.484 1.267 0 O-C-N 123.171 0.295 . . . . 72.209999999999994 111.208 177.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.406 HG13 ' O ' ' A' ' 27' ' ' ALA . 51.2 mt -57.21 -45.98 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 C-N-CA 123.474 0.71 . . . . 73.109999999999999 110.301 179.421 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.63 -40.71 98.91 Favored Glycine 0 C--N 1.345 1.046 0 CA-C-N 114.292 -1.322 . . . . 55.219999999999999 112.811 179.24 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.2 mt -57.45 -51.29 70.04 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.233 0.613 . . . . 64.040000000000006 110.184 178.33 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' A' ' 30' ' ' ASN . 23.0 mm-40 -64.2 -36.54 84.4 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 124.069 0.855 . . . . 75.340000000000003 111.65 -176.314 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -64.87 -48.04 75.71 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.07 0.548 . . . . 74.409999999999997 111.421 175.677 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -60.48 -32.96 71.92 Favored 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 123.413 0.685 . . . . 75.450000000000003 111.092 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -69.34 -26.07 64.51 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.125 0.97 . . . . 65.5 112.187 178.298 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 27.7 mtm -90.68 -14.9 31.33 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 122.678 0.391 . . . . 71.319999999999993 111.446 176.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 105.01 7.81 37.61 Favored Glycine 0 C--N 1.345 1.053 0 CA-C-N 116.614 -0.266 . . . . 50.0 113.165 -176.542 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.9 mmpt? -90.59 45.88 1.29 Allowed 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.95 0.9 . . . . 62.509999999999998 109.588 176.374 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.435 ' HA ' ' HB3' ' A' ' 44' ' ' ALA . . . -67.43 -23.66 65.56 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.354 1.061 . . . . 74.150000000000006 111.93 -176.335 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.5 tpt85 -62.06 -50.42 72.05 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.796 0.838 . . . . 51.119999999999997 110.36 174.567 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -62.83 -47.27 84.14 Favored 'General case' 0 C--N 1.35 0.623 0 O-C-N 123.776 0.672 . . . . 71.010000000000005 109.362 174.637 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.435 ' HB3' ' HA ' ' A' ' 41' ' ' ALA . . . -55.64 -37.43 68.2 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.012 -0.995 . . . . 63.539999999999999 112.148 -176.342 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.17 -48.39 80.27 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 123.441 0.463 . . . . 75.450000000000003 111.012 178.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -58.47 -34.24 70.67 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.851 0.86 . . . . 72.150000000000006 110.964 175.311 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 3.1 m-30 -76.6 -37.95 55.59 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.504 1.122 . . . . 61.329999999999998 112.24 -174.671 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -76.26 -25.19 54.7 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 122.26 0.224 . . . . 74.219999999999999 110.623 176.777 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.443 ' CD1' ' HB3' ' A' ' 90' ' ' MET . 65.4 t80 -68.29 -51.36 45.8 Favored 'General case' 0 CA--C 1.537 0.466 0 O-C-N 123.699 0.625 . . . . 62.329999999999998 110.087 174.04 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.412 ' O ' HG23 ' A' ' 54' ' ' VAL . 57.3 mtt180 -59.6 -45.43 91.94 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 115.379 -0.828 . . . . 73.040000000000006 110.966 176.74 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.08 -44.88 91.94 Favored 'General case' 0 C--N 1.356 0.858 0 O-C-N 123.518 0.511 . . . . 72.340000000000003 110.026 177.194 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.51 -38.66 78.16 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 123.993 0.808 . . . . 63.409999999999997 111.679 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 49' ' ' PHE . 74.2 mt -64.54 -44.73 96.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 O-C-N 123.439 0.462 . . . . 72.129999999999995 110.9 176.693 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 50' ' ' ARG . 61.4 t -63.05 -45.9 97.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 C-N-CA 122.991 0.516 . . . . 53.240000000000002 111.012 -177.391 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.437 ' HZ ' ' HA ' ' A' ' 26' ' ' ARG . 46.7 m-85 -65.71 -46.3 79.46 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.074 0.549 . . . . 74.420000000000002 110.863 178.466 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -58.92 -37.7 77.27 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.815 0.846 . . . . 75.129999999999995 112.005 176.354 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 46.0 tptt -67.35 -31.96 72.58 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 124.18 0.992 . . . . 72.420000000000002 110.903 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -88.07 -9.15 54.24 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.517 0.727 . . . . 61.32 111.446 172.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 68.13 22.91 8.15 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.886 1.274 . . . . 75.109999999999999 111.753 -178.135 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -79.27 95.95 5.81 Favored 'General case' 0 C--O 1.241 0.609 0 N-CA-C 108.453 -0.943 . . . . 61.439999999999998 108.453 177.637 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.622 HG22 ' HB3' ' A' ' 101' ' ' GLU . 28.7 p -61.38 -38.27 86.42 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 114.526 -1.215 . . . . 72.5 112.672 -172.408 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -71.72 -38.34 70.51 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 123.488 0.492 . . . . 75.239999999999995 111.337 -173.673 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -69.38 -44.21 66.17 Favored Glycine 0 C--N 1.339 0.7 0 N-CA-C 111.668 -0.573 . . . . 53.0 111.668 177.555 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 55.7 tp -59.39 -37.8 78.89 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.135 0.974 . . . . 62.200000000000003 110.604 175.028 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -65.81 -43.72 87.78 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.084 1.354 . . . . 75.329999999999998 110.782 178.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -66.87 -42.38 85.74 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.237 -0.892 . . . . 73.129999999999995 110.659 178.084 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -72.26 -30.58 64.99 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.02 0.928 . . . . 64.25 111.273 -177.32 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.04 -49.11 48.38 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.813 0.845 . . . . 64.340000000000003 111.826 -178.345 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -67.0 -42.45 84.98 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 115.482 -0.781 . . . . 72.239999999999995 110.829 174.372 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.3 t -65.79 -28.77 69.26 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 122.625 0.37 . . . . 73.040000000000006 111.175 -178.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.402 HD22 HD11 ' A' ' 75' ' ' ILE . 0.9 OUTLIER -59.16 -53.81 54.06 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.642 0.777 . . . . 73.439999999999998 109.315 177.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.491 ' HA ' HD12 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -70.59 -27.07 63.83 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 116.247 -0.433 . . . . 62.130000000000003 111.994 -179.645 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -65.06 -33.85 77.02 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.467 0.707 . . . . 74.340000000000003 111.285 173.665 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.406 ' O ' ' HB1' ' A' ' 41' ' ' ALA . . . -70.11 -47.16 62.97 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 109.732 -0.47 . . . . 73.319999999999993 109.732 171.809 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.716 HD13 ' HA ' ' A' ' 88' ' ' LYS . 78.3 mt -60.57 -44.56 96.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 124.191 0.996 . . . . 72.239999999999995 113.58 -174.803 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 14.6 t -69.75 -19.33 63.53 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 116.325 -0.398 . . . . 74.430000000000007 110.371 179.646 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -96.17 -11.37 26.27 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 123.99 0.916 . . . . 71.400000000000006 112.234 177.767 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 69.4 mt . . . . . 0 N--CA 1.488 1.436 0 N-CA-C 108.786 -0.82 . . . . 70.519999999999996 108.786 174.839 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 . . . . . 0 N--CA 1.484 1.254 0 CA-C-O 120.67 0.271 . . . . 72.219999999999999 110.653 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.13 -39.58 86.62 Favored 'General case' 0 C--N 1.348 0.503 0 CA-C-N 115.698 -0.683 . . . . 43.520000000000003 110.623 175.64 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.716 ' HA ' HD13 ' A' ' 75' ' ' ILE . 11.1 tmtt? -61.84 -37.16 83.44 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 123.968 0.907 . . . . 61.240000000000002 110.131 178.672 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -67.12 -29.97 69.85 Favored 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 124.485 1.114 . . . . 63.329999999999998 111.018 -178.187 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.443 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 41.6 mtm -67.73 -32.72 73.54 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.722 0.809 . . . . 62.240000000000002 112.926 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -53.7 -33.37 55.28 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.049 0.54 . . . . 75.430000000000007 111.709 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.44 -39.55 92.19 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.357 0.663 . . . . 72.010000000000005 110.907 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.419 ' HB2' ' HE1' ' A' ' 49' ' ' PHE . 28.5 mmtp -59.7 -52.29 66.13 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 123.651 0.595 . . . . 74.109999999999999 111.381 -178.525 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.406 ' HA ' ' CE3' ' A' ' 97' ' ' TRP . . . -60.68 -32.24 71.46 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 124.155 0.909 . . . . 74.340000000000003 111.837 -177.581 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.464 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 8.1 mm-40 -75.96 -39.89 55.08 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.808 0.843 . . . . 74.219999999999999 111.927 176.508 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -68.83 -35.17 76.64 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 122.849 0.459 . . . . 73.530000000000001 110.84 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' TRP . . . . . 0.406 ' CE3' ' HA ' ' A' ' 94' ' ' ALA . 41.4 m0 -61.9 -46.56 88.86 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.148 -0.933 . . . . 54.32 109.2 172.19 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 32.5 tp -63.24 -37.85 88.86 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 123.723 0.809 . . . . 65.340000000000003 111.82 -178.521 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.464 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 12.0 mm100 -68.95 -39.82 79.28 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 122.998 0.519 . . . . 74.049999999999997 110.849 179.064 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.92 -28.2 61.41 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 115.875 -0.602 . . . . 53.009999999999998 111.147 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.622 ' HB3' HG22 ' A' ' 61' ' ' THR . 71.5 mm-40 . . . . . 0 N--CA 1.474 0.738 0 C-N-CA 123.466 0.706 . . . . 62.329999999999998 110.974 175.319 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 26.7 mtm . . . . . 0 CA--C 1.545 0.782 0 N-CA-C 109.838 -0.43 . . . . 52.340000000000003 109.838 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.76 -60.02 4.8 Favored Glycine 0 C--N 1.347 1.153 0 C-N-CA 123.498 0.57 . . . . 51.219999999999999 111.897 -170.378 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.417 ' O ' ' HB3' ' A' ' 29' ' ' TYR . 29.9 ttt85 -61.21 -31.45 71.22 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.033 1.333 . . . . 73.030000000000001 111.537 -177.203 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.34 -46.57 76.37 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 118.42 -0.8 . . . . 73.109999999999999 110.67 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.525 HD22 ' HD1' ' A' ' 47' ' ' TYR . 20.5 mt -59.73 -32.09 70.22 Favored 'General case' 0 N--CA 1.499 1.975 0 CA-C-N 118.416 0.553 . . . . 62.119999999999997 110.997 173.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.417 ' HB3' ' O ' ' A' ' 26' ' ' ARG . 74.0 t80 -62.54 -48.28 80.21 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 123.346 0.658 . . . . 72.140000000000001 110.273 176.651 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 -64.96 -37.37 87.41 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 123.216 0.606 . . . . 63.240000000000002 111.349 179.082 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 90.1 mt -64.72 -43.37 96.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 123.704 0.802 . . . . 72.310000000000002 109.664 177.024 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.36 -38.53 96.43 Favored Glycine 0 C--N 1.345 1.049 0 O-C-N 123.907 0.754 . . . . 64.439999999999998 112.07 178.456 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 89.6 mt -57.57 -42.23 82.68 Favored 'General case' 0 C--N 1.357 0.893 0 C-N-CA 123.361 0.664 . . . . 53.520000000000003 110.34 177.08 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -57.86 -48.36 80.02 Favored 'General case' 0 N--CA 1.478 0.972 0 O-C-N 123.931 0.769 . . . . 74.25 111.054 177.733 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.536 ' HE3' ' CE2' ' A' ' 47' ' ' TYR . 5.0 mptp? -59.68 -49.78 76.42 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.226 0.61 . . . . 72.340000000000003 110.489 178.557 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -59.47 -43.34 93.25 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.228 1.011 . . . . 52.039999999999999 110.973 -173.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -69.51 -27.38 65.13 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.922 0.889 . . . . 74.420000000000002 111.908 -178.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 76.5 mtm -89.98 -11.13 42.55 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.08 0.552 . . . . 64.409999999999997 111.849 178.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 95.58 4.23 60.77 Favored Glycine 0 N--CA 1.471 1.023 0 O-C-N 122.881 0.113 . . . . 64.319999999999993 113.067 -179.182 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -85.57 38.94 0.76 Allowed 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 124.247 1.019 . . . . 65.510000000000005 109.852 175.4 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.97 -15.77 63.09 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.212 1.005 . . . . 43.240000000000002 113.187 -164.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.418 ' HB2' HG23 ' A' ' 78' ' ' ILE . 8.6 tpt180 -64.58 -46.28 83.41 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 122.848 0.459 . . . . 65.540000000000006 109.94 173.566 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -69.43 -39.55 77.77 Favored 'General case' 0 C--N 1.345 0.404 0 CA-C-N 115.97 -0.559 . . . . 74.140000000000001 109.694 176.545 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.34 -44.17 68.26 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.955 0.902 . . . . 72.420000000000002 111.15 178.327 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.3 -39.52 79.57 Favored 'General case' 0 C--N 1.349 0.579 0 O-C-N 124.557 1.16 . . . . 74.450000000000003 110.953 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -63.31 -44.53 94.7 Favored 'General case' 0 C--N 1.362 1.135 0 C-N-CA 123.783 0.833 . . . . 60.340000000000003 110.728 176.752 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.536 ' CE2' ' HE3' ' A' ' 35' ' ' LYS . 65.9 m-85 -66.2 -43.12 87.7 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.588 0.755 . . . . 71.230000000000004 111.774 -178.045 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.444 ' HB2' ' HG ' ' A' ' 71' ' ' LEU . 25.9 m-85 -67.83 -31.56 71.5 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 123.877 0.736 . . . . 74.019999999999996 110.704 177.723 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.439 ' O ' HG13 ' A' ' 53' ' ' ILE . 36.5 t80 -68.18 -52.7 31.52 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.034 0.934 . . . . 73.219999999999999 110.575 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.424 ' O ' HG23 ' A' ' 54' ' ' VAL . 68.7 mtt180 -67.49 -35.23 78.75 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.617 0.767 . . . . 74.340000000000003 110.335 -178.664 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.91 -45.22 93.25 Favored 'General case' 0 C--N 1.353 0.757 0 O-C-N 124.284 0.99 . . . . 51.25 109.727 172.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.43 -35.67 81.66 Favored 'General case' 0 C--N 1.355 0.82 0 O-C-N 124.151 0.907 . . . . 63.310000000000002 111.642 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 49' ' ' PHE . 83.0 mt -62.3 -42.13 94.23 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.278 0 C-N-CA 123.569 0.747 . . . . 74.510000000000005 110.167 176.093 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.446 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 79.9 t -67.84 -48.78 74.12 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.759 0 C-N-CA 123.35 0.66 . . . . 73.329999999999998 110.258 178.61 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -59.3 -32.63 70.22 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.262 0.625 . . . . 55.219999999999999 111.639 178.718 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -72.71 -52.65 14.32 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.365 0.666 . . . . 75.439999999999998 111.244 -178.092 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.439 ' HE3' HG22 ' A' ' 53' ' ' ILE . 19.2 ptpt -65.62 -29.21 69.77 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.181 0.592 . . . . 75.319999999999993 112.316 -179.531 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' A' ' 54' ' ' VAL . 10.5 mm-40 -85.15 -11.12 55.8 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 122.88 0.472 . . . . 72.239999999999995 110.87 174.637 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 65.78 29.94 10.37 Favored 'General case' 0 C--N 1.356 0.848 0 C-N-CA 125.004 1.321 . . . . 64.219999999999999 112.335 176.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -84.69 85.71 7.41 Favored 'General case' 0 C--O 1.244 0.774 0 N-CA-C 107.536 -1.283 . . . . 73.25 107.536 169.465 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.426 ' O ' ' HG3' ' A' ' 65' ' ' ARG . 35.7 m -61.53 -43.62 98.54 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.347 1.059 . . . . 75.109999999999999 112.033 -174.145 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -63.97 -39.49 94.24 Favored 'General case' 0 N--CA 1.484 1.258 0 O-C-N 123.702 0.626 . . . . 71.329999999999998 111.096 -175.296 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -68.11 -37.34 87.07 Favored Glycine 0 C--N 1.341 0.813 0 CA-C-N 116.033 -0.531 . . . . 51.32 112.035 175.73 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 44.3 tp -63.44 -35.22 79.7 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.808 0.843 . . . . 74.349999999999994 110.302 175.164 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.555 ' HG2' HD11 ' A' ' 98' ' ' LEU . 60.8 mtp180 -64.17 -46.84 82.21 Favored 'General case' 0 C--N 1.362 1.109 0 C-N-CA 123.477 0.711 . . . . 61.109999999999999 110.017 176.627 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 23.4 ttt-85 -70.44 -34.39 72.42 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 124.378 1.049 . . . . 73.230000000000004 110.257 -175.59 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.452 ' O ' ' HB2' ' A' ' 71' ' ' LEU . . . -74.73 -37.67 62.47 Favored 'General case' 0 C--N 1.351 0.659 0 C-N-CA 123.847 0.859 . . . . 54.219999999999999 110.639 179.348 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.85 -43.51 75.3 Favored 'General case' 0 C--N 1.356 0.855 0 O-C-N 123.948 0.78 . . . . 73.530000000000001 110.999 179.107 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -60.54 -52.54 64.73 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 124.096 0.872 . . . . 72.349999999999994 111.004 178.192 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.6 t -70.08 -27.5 64.67 Favored 'General case' 0 C--N 1.345 0.372 0 O-C-N 124.201 0.938 . . . . 74.420000000000002 111.039 -176.448 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.475 ' O ' HG12 ' A' ' 75' ' ' ILE . 1.2 tt -59.01 -51.55 69.6 Favored 'General case' 0 C--N 1.361 1.104 0 N-CA-C 108.758 -0.83 . . . . 71.510000000000005 108.758 172.725 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.534 ' HG2' ' HB1' ' A' ' 91' ' ' ALA . 54.7 mtpt -69.52 -32.46 71.31 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.754 0.821 . . . . 71.519999999999996 111.948 -177.533 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -68.3 -33.46 74.37 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.4 0.68 . . . . 71.340000000000003 109.718 174.376 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.517 ' O ' HG13 ' A' ' 78' ' ' ILE . . . -69.11 -39.54 78.88 Favored 'General case' 0 C--O 1.215 -0.755 0 CA-C-O 118.66 -0.686 . . . . 72.450000000000003 110.013 174.422 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.595 HG21 ' HG2' ' A' ' 88' ' ' LYS . 32.7 mm -60.8 -47.17 94.44 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 C-N-CA 123.405 0.682 . . . . 74.319999999999993 111.485 -177.323 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 34.8 p -67.63 -18.39 64.95 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-N 114.703 -1.135 . . . . 63.409999999999997 111.293 177.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -99.06 -10.01 23.14 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.02 0.928 . . . . 65.010000000000005 112.03 177.313 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.517 HG13 ' O ' ' A' ' 74' ' ' ALA . 63.8 mt . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 118.768 -0.634 . . . . 45.43 109.345 177.115 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.014 0 CA-C-O 120.955 0.407 . . . . 72.519999999999996 111.45 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.12 -34.17 74.63 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.548 -0.751 . . . . 71.340000000000003 111.035 178.167 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.595 ' HG2' HG21 ' A' ' 75' ' ' ILE . 8.3 tmtt? -63.22 -36.85 85.03 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 123.76 0.824 . . . . 72.150000000000006 108.924 176.532 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.464 ' HA ' ' HE3' ' A' ' 92' ' ' LYS . 43.7 mt-10 -68.52 -30.62 69.47 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 115.015 -0.993 . . . . 43.020000000000003 110.823 178.694 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 61.1 mtm -67.34 -39.5 85.78 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.957 0.503 . . . . 71.510000000000005 110.744 174.053 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.534 ' HB1' ' HG2' ' A' ' 72' ' ' LYS . . . -64.88 -31.65 72.99 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 115.639 -0.709 . . . . 64.510000000000005 110.739 176.249 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.479 ' O ' ' HG2' ' A' ' 96' ' ' GLU . 10.1 mtmp? -63.27 -42.59 99.13 Favored 'General case' 0 C--N 1.362 1.137 0 O-C-N 123.649 0.593 . . . . 73.340000000000003 110.438 174.584 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.428 ' HB2' ' HE1' ' A' ' 49' ' ' PHE . 69.1 mmtt -58.56 -42.38 87.82 Favored 'General case' 0 N--CA 1.482 1.142 0 O-C-N 123.884 0.74 . . . . 74.019999999999996 110.947 178.38 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.49 -37.65 88.11 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.722 0.809 . . . . 64.129999999999995 111.497 -179.566 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -66.87 -39.42 87.52 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.663 0.785 . . . . 74.209999999999994 110.853 175.289 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.479 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 17.4 mm-40 -63.2 -52.06 63.84 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.614 0.766 . . . . 61.439999999999998 110.418 179.684 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 28.0 m0 -59.94 -32.9 71.22 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 124.111 0.882 . . . . 74.310000000000002 111.106 179.458 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.555 HD11 ' HG2' ' A' ' 65' ' ' ARG . 25.8 tp -66.48 -38.62 87.69 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 123.787 0.68 . . . . 71.400000000000006 110.772 179.043 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 12.4 mm-40 -68.65 -29.74 68.29 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 122.318 0.247 . . . . 62.32 110.616 177.105 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.59 -46.58 68.98 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.523 0.729 . . . . 53.210000000000001 110.71 177.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 . . . . . 0 N--CA 1.478 0.929 0 C-N-CA 123.707 0.803 . . . . 74.409999999999997 112.21 -179.291 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 33.4 mtm . . . . . 0 N--CA 1.47 0.56 0 N-CA-C 108.779 -0.823 . . . . 73.140000000000001 108.779 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.94 -60.72 4.42 Favored Glycine 0 C--N 1.346 1.138 0 N-CA-C 111.214 -0.754 . . . . 51.130000000000003 111.214 -177.803 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 42.3 ttp180 -64.57 -42.73 95.46 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.3 0.64 . . . . 73.450000000000003 109.632 170.131 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.429 ' O ' HG13 ' A' ' 31' ' ' ILE . . . -60.62 -43.26 97.71 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 123.945 0.778 . . . . 74.200000000000003 110.824 173.001 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.22 -35.49 81.23 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 124.375 1.07 . . . . 60.32 110.537 -179.686 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -65.01 -42.13 94.7 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 114.519 -1.218 . . . . 72.310000000000002 109.442 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -64.47 -36.72 85.11 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 124.009 0.818 . . . . 71.239999999999995 111.403 -178.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.43 ' O ' ' HD3' ' A' ' 35' ' ' LYS . 28.0 mt -65.16 -45.31 94.39 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.811 0 O-C-N 123.928 0.767 . . . . 73.540000000000006 109.499 175.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.55 -34.43 89.91 Favored Glycine 0 C--N 1.354 1.573 0 CA-C-N 115.423 -0.808 . . . . 55.43 113.366 -179.377 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 97.9 mt -57.78 -40.56 80.11 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.721 0.808 . . . . 65.230000000000004 110.246 174.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -74.79 -26.77 59.97 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.041 -0.981 . . . . 64.530000000000001 112.363 -178.092 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.43 ' HD3' ' O ' ' A' ' 31' ' ' ILE . 4.6 mptp? -64.46 -42.11 96.13 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 109.292 -0.633 . . . . 74.310000000000002 109.292 170.297 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -67.41 -30.75 70.58 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.709 0.803 . . . . 71.439999999999998 110.612 176.51 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -68.73 -25.79 64.92 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.869 0.868 . . . . 55.509999999999998 111.467 175.392 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 70.0 mtm -87.05 -4.68 59.18 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.036 0.534 . . . . 75.319999999999993 111.64 176.546 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.9 -1.8 87.78 Favored Glycine 0 C--N 1.341 0.821 0 N-CA-C 112.464 -0.254 . . . . 62.240000000000002 112.464 -173.509 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -84.36 67.73 9.96 Favored 'General case' 0 C--N 1.353 0.758 0 N-CA-C 108.374 -0.973 . . . . 60.109999999999999 108.374 175.237 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.66 -16.32 62.25 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 114.531 -1.213 . . . . 62.350000000000001 111.824 -176.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.493 ' HG2' HD13 ' A' ' 78' ' ' ILE . 2.1 tmm_? -72.61 -50.28 26.37 Favored 'General case' 0 C--N 1.355 0.839 0 N-CA-C 108.572 -0.899 . . . . 73.239999999999995 108.572 173.622 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -61.32 -34.57 75.47 Favored 'General case' 0 N--CA 1.479 1.001 0 O-C-N 124.115 0.885 . . . . 64.409999999999997 111.183 173.262 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.55 -51.75 68.5 Favored 'General case' 0 C--N 1.35 0.592 0 N-CA-C 109.381 -0.6 . . . . 72.310000000000002 109.381 175.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.63 -43.01 79.83 Favored 'General case' 0 C--N 1.351 0.647 0 O-C-N 124.726 1.266 . . . . 75.549999999999997 111.282 178.731 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.454 ' HG2' ' O ' ' A' ' 42' ' ' ARG . 72.3 mm-40 -53.35 -52.86 57.86 Favored 'General case' 0 C--N 1.355 0.835 0 C-N-CA 123.625 0.77 . . . . 71.340000000000003 110.576 178.255 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -72.46 -29.52 63.74 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.201 1.001 . . . . 73.420000000000002 111.752 -174.363 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -72.05 -32.88 67.51 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.087 0.555 . . . . 44.43 110.817 176.36 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -67.36 -50.63 59.02 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.597 -0.729 . . . . 72.329999999999998 110.129 175.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -65.1 -32.11 73.65 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 115.181 -0.918 . . . . 73.349999999999994 110.367 -178.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.95 -46.27 78.75 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 115.602 -0.726 . . . . 24.329999999999998 109.702 172.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.1 -32.63 72.31 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 124.191 0.932 . . . . 50.140000000000001 111.686 -179.521 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 72.2 mt -59.89 -49.92 82.09 Favored 'Isoleucine or valine' 0 C--N 1.359 0.997 0 C-N-CA 123.852 0.861 . . . . 75.099999999999994 110.089 173.195 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 76.1 t -59.45 -45.9 93.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 123.265 0.626 . . . . 70.349999999999994 110.964 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -63.67 -34.33 77.62 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 115.03 -0.986 . . . . 64.030000000000001 111.081 178.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -71.44 -40.12 70.56 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 123.023 0.529 . . . . 74.219999999999999 111.44 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.14 -44.91 71.79 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 123.17 0.588 . . . . 65.230000000000004 110.836 173.795 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -83.02 -9.0 59.49 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 115.202 -0.908 . . . . 71.409999999999997 111.819 178.255 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 59.61 29.19 18.74 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 124.831 1.252 . . . . 63.219999999999999 112.063 178.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -81.04 99.47 8.48 Favored 'General case' 0 C--O 1.241 0.606 0 C-N-CA 124.867 1.267 . . . . 64.150000000000006 108.084 178.482 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.448 HG22 ' HB3' ' A' ' 101' ' ' GLU . 35.4 p -62.04 -40.54 96.08 Favored 'General case' 0 C--O 1.214 -0.781 0 C-N-CA 123.83 0.852 . . . . 73.120000000000005 112.745 -174.527 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -64.78 -39.83 94.25 Favored 'General case' 0 N--CA 1.486 1.336 0 O-C-N 123.651 0.594 . . . . 70.120000000000005 111.5 -175.02 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -73.11 -45.06 33.23 Favored Glycine 0 C--N 1.344 1.021 0 O-C-N 123.551 0.532 . . . . 61.439999999999998 111.934 178.568 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 61.5 tp -59.46 -36.68 76.43 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 124.763 1.225 . . . . 73.349999999999994 110.764 176.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -65.98 -50.92 62.61 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.832 1.653 . . . . 72.219999999999999 110.264 177.588 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -64.35 -40.33 95.66 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.311 0.644 . . . . 61.149999999999999 110.836 -178.378 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.51 -32.87 73.14 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.29 0.636 . . . . 72.310000000000002 110.953 179.362 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.407 ' O ' ' HG2' ' A' ' 72' ' ' LYS . . . -71.14 -42.73 68.78 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.591 0.757 . . . . 64.219999999999999 111.469 177.623 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -66.57 -39.07 88.29 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.863 0.865 . . . . 72.409999999999997 110.237 177.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.0 t -70.05 -32.58 70.76 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 114.749 -1.114 . . . . 61.399999999999999 110.3 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.1 mt -61.47 -43.72 98.36 Favored 'General case' 0 C--N 1.361 1.073 0 C-N-CA 123.717 0.807 . . . . 74.540000000000006 110.413 172.431 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.407 ' HG2' ' O ' ' A' ' 68' ' ' ALA . 44.3 mmtm -59.35 -44.89 92.61 Favored 'General case' 0 N--CA 1.481 1.121 0 O-C-N 123.393 0.433 . . . . 65.340000000000003 110.559 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -67.35 -46.92 71.97 Favored 'General case' 0 N--CA 1.48 1.042 0 O-C-N 123.945 0.778 . . . . 75.409999999999997 110.808 -179.543 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.401 ' O ' HG13 ' A' ' 78' ' ' ILE . . . -60.11 -47.15 87.1 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.844 0.858 . . . . 73.430000000000007 111.177 -175.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.492 HD12 ' HB2' ' A' ' 91' ' ' ALA . 36.4 mt -74.44 -33.21 32.59 Favored 'Isoleucine or valine' 0 C--O 1.245 0.862 0 N-CA-C 112.203 0.446 . . . . 53.119999999999997 112.203 -173.554 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 68.2 p -76.81 -15.58 59.69 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 116.596 -0.275 . . . . 73.319999999999993 110.782 174.162 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -89.65 -18.3 26.74 Favored 'General case' 0 C--N 1.354 0.795 0 C-N-CA 123.435 0.694 . . . . 60.140000000000001 111.524 175.538 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.493 HD13 ' HG2' ' A' ' 42' ' ' ARG . 58.9 mt . . . . . 0 N--CA 1.487 1.424 0 N-CA-C 108.283 -1.006 . . . . 62.530000000000001 108.283 174.629 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 . . . . . 0 N--CA 1.478 0.943 0 CA-C-O 120.758 0.313 . . . . 72.310000000000002 110.158 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.7 -33.16 64.28 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 115.902 -0.59 . . . . 65.430000000000007 110.88 178.53 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.455 ' HA ' HD13 ' A' ' 75' ' ' ILE . 4.5 tppp? -60.34 -37.88 82.01 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.749 0.82 . . . . 74.040000000000006 110.566 -179.122 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -55.12 -31.96 61.68 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.236 1.014 . . . . 74.430000000000007 111.977 178.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 45.0 mtm -73.92 -32.58 63.6 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.511 1.124 . . . . 73.439999999999998 111.511 -178.331 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.492 ' HB2' HD12 ' A' ' 75' ' ' ILE . . . -59.8 -40.4 88.2 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 122.929 0.492 . . . . 51.229999999999997 110.236 173.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.456 ' O ' ' HG2' ' A' ' 96' ' ' GLU . 0.8 OUTLIER -64.5 -41.94 96.14 Favored 'General case' 0 C--N 1.364 1.202 0 O-C-N 124.101 0.875 . . . . 51.420000000000002 110.16 177.947 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 26.3 mmtp -59.51 -44.3 93.16 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 124.053 0.941 . . . . 71.430000000000007 111.937 178.192 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.45 -35.75 76.58 Favored 'General case' 0 N--CA 1.468 0.429 0 O-C-N 124.442 1.089 . . . . 70.549999999999997 111.103 177.409 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' A' ' 91' ' ' ALA . 19.7 mm-40 -75.54 -32.61 60.52 Favored 'General case' 0 C--O 1.219 -0.545 0 O-C-N 124.145 0.903 . . . . 73.129999999999995 111.154 176.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.456 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 58.4 mm-40 -63.04 -49.84 72.99 Favored 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 109.472 -0.566 . . . . 72.420000000000002 109.472 178.072 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' TRP . . . . . 0.452 ' O ' ' HG2' ' A' ' 101' ' ' GLU . 24.0 m0 -64.6 -45.65 86.04 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.202 -0.908 . . . . 74.25 110.53 -179.587 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 49.9 tp -62.42 -48.4 79.87 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 123.967 0.792 . . . . 71.420000000000002 111.826 -177.622 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -66.63 -27.23 67.52 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.399 0.679 . . . . 74.5 111.2 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.43 -36.83 65.99 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.236 0.614 . . . . 71.120000000000005 110.739 175.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' A' ' 97' ' ' TRP . 49.4 mm-40 . . . . . 0 N--CA 1.474 0.734 0 C-N-CA 123.147 0.579 . . . . 44.420000000000002 111.164 177.217 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 16.5 mtm . . . . . 0 CA--C 1.54 0.578 0 CA-C-O 120.734 0.302 . . . . 72.400000000000006 111.598 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.99 -50.52 3.12 Favored Glycine 0 C--N 1.348 1.229 0 C-N-CA 123.694 0.664 . . . . 61.450000000000003 111.732 -171.089 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 65.7 mtp180 -58.83 -43.16 90.62 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.842 1.257 . . . . 72.540000000000006 112.294 -176.199 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.501 ' O ' HG13 ' A' ' 31' ' ' ILE . . . -61.84 -46.1 90.93 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 123.459 0.474 . . . . 55.009999999999998 111.364 -178.598 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.571 HD23 HD12 ' A' ' 31' ' ' ILE . 21.7 mt -63.67 -34.61 78.25 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.031 0.532 . . . . 70.5 111.825 177.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -62.12 -42.51 99.31 Favored 'General case' 0 CA--C 1.546 0.797 0 O-C-N 123.328 0.392 . . . . 74.310000000000002 110.28 174.54 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.527 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 50.3 m-80 -67.15 -40.44 86.68 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-O 118.797 -0.62 . . . . 73.120000000000005 111.549 177.506 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.571 HD12 HD23 ' A' ' 28' ' ' LEU . 64.7 mt -63.14 -37.12 78.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 N-CA-C 109.591 -0.522 . . . . 74.209999999999994 109.591 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.52 -48.03 87.97 Favored Glycine 0 C--N 1.347 1.141 0 CA-C-N 114.79 -1.096 . . . . 74.230000000000004 112.218 173.427 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.54 ' O ' ' HG2' ' A' ' 37' ' ' LYS . 97.1 mt -58.53 -43.4 89.2 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 123.157 0.583 . . . . 74.129999999999995 110.506 177.084 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.527 ' HG2' ' O ' ' A' ' 30' ' ' ASN . 7.8 mm-40 -64.37 -37.93 89.26 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 124.209 1.004 . . . . 72.420000000000002 111.988 -176.691 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.44 ' HG3' ' HE2' ' A' ' 47' ' ' TYR . 33.7 mmtp -68.36 -42.27 79.42 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 116.026 -0.533 . . . . 72.400000000000006 110.005 173.74 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -64.7 -28.55 69.67 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.886 0.874 . . . . 55.329999999999998 110.69 -179.457 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.54 ' HG2' ' O ' ' A' ' 33' ' ' LEU . 74.5 mmtt -62.74 -41.49 99.21 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.48 0.712 . . . . 73.409999999999997 110.598 175.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.43 ' HE2' ' HA ' ' A' ' 35' ' ' LYS . 36.4 mtm -87.11 -2.27 58.5 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 115.154 -0.93 . . . . 64.450000000000003 111.225 -177.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 96.55 -6.78 65.49 Favored Glycine 0 C--N 1.348 1.207 0 CA-C-O 119.448 -0.64 . . . . 34.130000000000003 113.68 177.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -75.57 77.73 2.58 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-O 121.886 0.85 . . . . 73.329999999999998 110.432 177.745 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.432 ' O ' ' HB1' ' A' ' 74' ' ' ALA . . . -86.35 -23.86 26.05 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 114.568 -1.196 . . . . 61.229999999999997 112.584 -170.206 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -73.94 -39.96 63.42 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 109.563 -0.532 . . . . 60.539999999999999 109.563 176.613 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -66.17 -42.37 89.03 Favored 'General case' 0 C--N 1.353 0.739 0 O-C-N 123.898 0.749 . . . . 64.209999999999994 109.618 171.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.63 -54.3 39.55 Favored 'General case' 0 C--N 1.349 0.577 0 O-C-N 124.085 0.866 . . . . 61.100000000000001 110.904 179.007 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.46 ' HB1' HD23 ' A' ' 71' ' ' LEU . . . -57.69 -36.55 72.11 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 124.378 1.049 . . . . 61.109999999999999 111.587 179.083 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -66.97 -39.45 87.22 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.971 0.909 . . . . 74.120000000000005 110.572 -178.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.44 ' HE2' ' HG3' ' A' ' 35' ' ' LYS . 63.1 m-85 -71.93 -36.13 69.83 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.243 0.617 . . . . 71.219999999999999 111.663 175.23 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -66.83 -29.77 69.78 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.129 0.571 . . . . 54.32 110.849 178.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -70.13 -47.72 60.51 Favored 'General case' 0 C--N 1.343 0.31 0 O-C-N 124.11 0.882 . . . . 74.420000000000002 110.54 177.326 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.445 ' CB ' HD13 ' A' ' 28' ' ' LEU . 72.6 mtt180 -56.24 -46.86 79.42 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 124.161 0.913 . . . . 74.219999999999999 109.949 176.418 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.07 -44.93 95.61 Favored 'General case' 0 C--N 1.348 0.519 0 CA-C-N 114.366 -1.288 . . . . 73.120000000000005 110.549 179.52 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.28 -31.87 73.24 Favored 'General case' 0 N--CA 1.485 1.304 0 O-C-N 123.957 0.786 . . . . 73.010000000000005 111.913 -176.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 94.6 mt -61.68 -50.44 80.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 123.554 0.742 . . . . 73.099999999999994 109.698 173.821 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 51.7 t -67.88 -41.88 85.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 O-C-N 123.853 0.72 . . . . 73.010000000000005 110.987 -175.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -63.33 -47.68 81.18 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.469 0.708 . . . . 64.450000000000003 111.379 179.286 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.402 ' CD1' ' HB3' ' A' ' 97' ' ' TRP . 64.8 t80 -64.42 -45.5 87.29 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 123.43 0.456 . . . . 74.230000000000004 111.518 178.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 45.5 tptt -55.63 -39.47 70.87 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.55 1.14 . . . . 73.430000000000007 111.009 178.008 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -88.45 -9.71 51.6 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-N 115.407 -0.815 . . . . 73.430000000000007 111.165 177.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 64.4 m-70 65.44 31.91 9.95 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 125.162 1.385 . . . . 54.310000000000002 112.068 177.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -79.98 102.57 9.32 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 108.75 -0.833 . . . . 64.340000000000003 108.75 169.577 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 18.8 p -69.84 -25.46 63.76 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.555 0.742 . . . . 63.509999999999998 112.466 -178.129 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -64.79 -59.1 4.6 Favored 'General case' 0 N--CA 1.477 0.878 0 O-C-N 123.8 0.688 . . . . 65.0 109.738 -179.173 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -71.23 -31.49 66.21 Favored Glycine 0 C--N 1.342 0.861 0 CA-C-N 114.726 -1.125 . . . . 63.109999999999999 113.459 -176.07 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 65.7 tp -67.9 -42.2 81.54 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 122.927 0.491 . . . . 74.239999999999995 110.684 176.32 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -61.11 -44.66 97.01 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 124.028 0.931 . . . . 70.519999999999996 110.568 177.028 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 58.9 mtp180 -66.33 -49.77 65.83 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 114.803 -1.089 . . . . 65.400000000000006 110.632 179.111 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.474 ' O ' ' HB2' ' A' ' 71' ' ' LEU . . . -66.92 -31.22 71.67 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.227 0.611 . . . . 74.310000000000002 111.953 -175.419 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.469 ' HA ' ' HB1' ' A' ' 94' ' ' ALA . . . -63.91 -46.34 85.27 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.393 0.677 . . . . 62.299999999999997 111.05 176.578 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -72.95 -38.43 66.78 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 114.879 -1.055 . . . . 53.020000000000003 111.406 179.235 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 50.2 m -68.61 -33.29 73.79 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 123.767 0.667 . . . . 51.420000000000002 110.414 -179.021 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.474 ' HB2' ' O ' ' A' ' 67' ' ' ALA . 0.9 OUTLIER -62.81 -53.16 58.59 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.717 0.807 . . . . 74.340000000000003 109.52 179.395 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.22 -37.69 72.02 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-N 115.353 -0.84 . . . . 54.310000000000002 112.409 -173.171 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -68.67 -29.2 67.62 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 122.675 0.39 . . . . 64.019999999999996 110.412 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.432 ' HB1' ' O ' ' A' ' 41' ' ' ALA . . . -71.26 -34.71 70.96 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 115.561 -0.745 . . . . 54.210000000000001 110.745 175.672 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.816 HD13 ' HA ' ' A' ' 88' ' ' LYS . 59.9 mt -71.63 -38.93 68.8 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.254 0 C-N-CA 123.365 0.666 . . . . 63.549999999999997 111.76 179.618 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 39.4 p -71.01 -12.9 61.79 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 116.419 -0.355 . . . . 75.209999999999994 111.02 173.807 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -94.82 -15.67 23.57 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 123.852 0.861 . . . . 71.530000000000001 111.867 177.03 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 56.0 mt . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 108.953 -0.758 . . . . 63.200000000000003 108.953 175.501 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 . . . . . 0 N--CA 1.488 1.469 0 N-CA-C 111.425 0.157 . . . . 72.439999999999998 111.425 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -75.8 -29.05 58.59 Favored 'General case' 0 C--N 1.35 0.59 0 C-N-CA 123.305 0.642 . . . . 51.409999999999997 111.375 -173.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.816 ' HA ' HD13 ' A' ' 75' ' ' ILE . 13.8 tmtt? -65.29 -33.63 76.44 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.882 0.873 . . . . 60.100000000000001 111.342 -173.669 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -59.37 -31.79 69.53 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.838 0.855 . . . . 75.519999999999996 111.868 -178.509 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 40.7 mtm -72.84 -31.26 64.64 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.93 1.292 . . . . 71.319999999999993 111.824 -176.82 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.46 ' O ' ' HG2' ' A' ' 95' ' ' GLU . . . -53.92 -47.17 71.47 Favored 'General case' 0 N--CA 1.481 1.097 0 O-C-N 123.871 0.732 . . . . 73.439999999999998 110.802 177.06 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.437 ' O ' ' HG2' ' A' ' 96' ' ' GLU . 62.1 tttp -57.98 -42.72 85.69 Favored 'General case' 0 C--N 1.361 1.076 0 O-C-N 124.443 1.089 . . . . 72.310000000000002 111.027 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -58.96 -46.71 87.39 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 124.064 0.853 . . . . 75.310000000000002 110.988 -177.786 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.469 ' HB1' ' HA ' ' A' ' 68' ' ' ALA . . . -63.42 -35.39 80.25 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.7 0.8 . . . . 63.329999999999998 111.619 -179.484 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.466 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 10.8 mm-40 -66.21 -47.73 72.9 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.487 0.715 . . . . 64.239999999999995 111.002 175.006 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 68.0 mm-40 -56.23 -45.65 79.87 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.598 0.759 . . . . 70.439999999999998 110.986 -179.398 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' TRP . . . . . 0.402 ' HB3' ' CD1' ' A' ' 56' ' ' TYR . 44.5 m0 -68.62 -38.78 80.83 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 114.888 -1.051 . . . . 74.25 110.98 -178.114 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 30.2 tp -68.41 -34.08 75.36 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 115.783 -0.644 . . . . 71.340000000000003 111.271 -179.009 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.466 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 82.6 mm-40 -72.66 -32.04 65.53 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 122.738 0.415 . . . . 72.319999999999993 110.37 178.13 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.35 -30.91 71.96 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.429 0.692 . . . . 73.319999999999993 111.169 177.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 . . . . . 0 CA--C 1.542 0.656 0 C-N-CA 123.747 0.819 . . . . 72.109999999999999 111.193 177.135 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 28.9 mtm . . . . . 0 N--CA 1.473 0.711 0 CA-C-O 121.123 0.487 . . . . 74.549999999999997 110.869 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.97 -47.71 1.28 Allowed Glycine 0 C--N 1.346 1.096 0 N-CA-C 110.314 -1.115 . . . . 75.299999999999997 110.314 -171.538 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.2 ttt180 -54.85 -47.04 74.68 Favored 'General case' 0 C--N 1.354 0.761 0 C-N-CA 124.336 1.054 . . . . 73.239999999999995 110.775 174.575 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.406 ' O ' HG13 ' A' ' 31' ' ' ILE . . . -57.38 -39.81 76.83 Favored 'General case' 0 C--N 1.35 0.593 0 O-C-N 124.058 0.849 . . . . 74.310000000000002 112.601 -175.097 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.454 HD22 ' HD1' ' A' ' 47' ' ' TYR . 59.2 mt -65.44 -45.66 82.98 Favored 'General case' 0 N--CA 1.484 1.264 0 O-C-N 123.179 0.299 . . . . 72.230000000000004 110.529 176.621 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -57.36 -40.08 77.32 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.063 0.945 . . . . 61.310000000000002 111.078 177.739 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -73.48 -36.31 65.79 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.268 1.027 . . . . 70.409999999999997 111.331 -175.746 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.406 HG13 ' O ' ' A' ' 27' ' ' ALA . 90.3 mt -63.76 -44.28 98.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 N-CA-C 109.052 -0.721 . . . . 61.32 109.052 171.401 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.04 -36.43 93.45 Favored Glycine 0 C--N 1.352 1.441 0 O-C-N 124.431 1.082 . . . . 34.229999999999997 113.246 -177.502 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 85.5 mt -59.34 -40.51 86.58 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.072 0.549 . . . . 54.439999999999998 110.015 175.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.43 ' HA ' ' HB3' ' A' ' 37' ' ' LYS . 43.6 mm-40 -76.37 -29.16 57.05 Favored 'General case' 0 C--N 1.348 0.51 0 O-C-N 123.979 0.799 . . . . 63.149999999999999 111.947 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -66.55 -49.43 66.46 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 109.605 -0.517 . . . . 71.150000000000006 109.605 175.235 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -64.1 -32.52 74.11 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 123.878 0.871 . . . . 70.340000000000003 110.448 179.071 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.43 ' HB3' ' HA ' ' A' ' 34' ' ' GLU . 1.6 tmtp? -66.19 -38.65 88.53 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 124.83 1.252 . . . . 74.019999999999996 110.838 173.721 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 69.7 mtm -86.54 1.33 52.0 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 123.406 0.682 . . . . 74.409999999999997 111.656 178.673 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.96 0.38 89.67 Favored Glycine 0 C--N 1.347 1.194 0 N-CA-C 113.758 0.263 . . . . 74.129999999999995 113.758 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -82.49 55.34 2.9 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.923 1.289 . . . . 73.319999999999993 109.599 176.765 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.92 -27.52 65.83 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.535 1.134 . . . . 54.340000000000003 111.885 -171.743 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.67 -51.46 63.1 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 124.574 1.15 . . . . 65.209999999999994 110.798 172.791 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -79.99 -29.26 39.48 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 116.335 -0.393 . . . . 74.120000000000005 111.571 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.18 -53.63 55.95 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 124.094 0.871 . . . . 52.32 110.916 178.798 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.41 -35.14 73.43 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 124.742 1.276 . . . . 72.200000000000003 111.27 -179.557 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -68.16 -41.02 82.18 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 124.079 0.951 . . . . 51.119999999999997 109.817 -179.705 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.454 ' HD1' HD22 ' A' ' 28' ' ' LEU . 40.0 m-85 -66.83 -36.71 82.98 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.407 0.683 . . . . 73.109999999999999 111.16 175.676 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.456 ' HB2' ' HG ' ' A' ' 71' ' ' LEU . 23.5 m-85 -68.88 -32.41 72.05 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.22 0.608 . . . . 72.299999999999997 110.515 178.287 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -68.81 -51.4 41.24 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 123.741 0.651 . . . . 74.420000000000002 110.646 178.628 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 35.0 mtp180 -66.79 -33.07 74.81 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 123.978 0.799 . . . . 75.349999999999994 111.417 -179.361 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.21 -48.27 80.77 Favored 'General case' 0 C--N 1.35 0.597 0 O-C-N 123.711 0.632 . . . . 72.109999999999999 109.322 172.7 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.16 -34.63 73.83 Favored 'General case' 0 C--N 1.357 0.921 0 O-C-N 124.41 1.068 . . . . 53.030000000000001 111.515 -179.612 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 83.8 mt -57.5 -52.77 52.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 O-C-N 124.0 0.813 . . . . 63.329999999999998 110.111 174.318 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.445 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 41.0 t -64.09 -44.44 97.68 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 123.095 0.558 . . . . 62.030000000000001 110.764 -176.593 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -65.22 -29.97 70.81 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.172 0.589 . . . . 72.299999999999997 111.622 178.685 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 44.6 t80 -72.16 -42.58 65.76 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.208 0.603 . . . . 74.409999999999997 110.279 176.184 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -56.8 -37.06 70.63 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.974 0.91 . . . . 74.230000000000004 111.393 171.422 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' A' ' 54' ' ' VAL . 24.4 mm-40 -85.75 -11.78 52.72 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 115.969 -0.56 . . . . 71.010000000000005 111.652 179.068 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 60.19 28.18 17.74 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.926 1.29 . . . . 71.409999999999997 111.421 -177.289 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -81.88 94.35 7.07 Favored 'General case' 0 C--O 1.242 0.7 0 C-N-CA 125.75 1.62 . . . . 74.200000000000003 108.593 176.774 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 24.3 p -64.25 -25.76 68.2 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.838 0.855 . . . . 51.140000000000001 112.379 -177.041 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -59.76 -59.19 5.84 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 122.808 0.443 . . . . 75.129999999999995 110.896 176.234 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -75.3 -37.17 42.75 Favored Glycine 0 C--N 1.335 0.478 0 CA-C-N 115.066 -0.97 . . . . 74.430000000000007 113.408 -172.347 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 53.4 tp -61.72 -49.18 77.48 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.288 0.635 . . . . 75.010000000000005 110.329 178.396 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.416 ' O ' ' HG3' ' A' ' 69' ' ' LYS . 37.4 ttt180 -63.33 -46.36 86.97 Favored 'General case' 0 C--N 1.353 0.725 0 O-C-N 124.239 0.962 . . . . 54.420000000000002 110.12 179.635 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -65.53 -34.33 78.01 Favored 'General case' 0 CA--C 1.543 0.697 0 O-C-N 124.168 0.918 . . . . 74.310000000000002 111.005 -176.616 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.486 ' O ' ' HB2' ' A' ' 71' ' ' LEU . . . -71.76 -36.53 70.42 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.237 0.615 . . . . 72.340000000000003 110.283 178.204 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.08 -41.76 85.8 Favored 'General case' 0 N--CA 1.483 1.194 0 O-C-N 124.124 0.89 . . . . 75.239999999999995 110.995 175.725 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' A' ' 65' ' ' ARG . 29.5 mtpp -60.63 -48.25 82.6 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.326 1.05 . . . . 75.219999999999999 110.811 176.358 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.7 t -71.52 -30.01 65.44 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.493 0.717 . . . . 42.329999999999998 110.368 -177.254 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.486 ' HB2' ' O ' ' A' ' 67' ' ' ALA . 0.5 OUTLIER -62.26 -54.49 40.05 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 124.345 1.058 . . . . 71.209999999999994 110.069 -177.884 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.525 ' HA ' HD12 ' A' ' 75' ' ' ILE . 21.8 pttp -64.02 -30.82 71.86 Favored 'General case' 0 N--CA 1.481 1.096 0 O-C-N 123.866 0.729 . . . . 73.019999999999996 111.569 -176.458 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -72.81 -36.24 67.51 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.753 0.821 . . . . 75.25 110.391 178.17 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.456 ' O ' HG13 ' A' ' 78' ' ' ILE . . . -67.23 -37.57 83.8 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.872 -0.604 . . . . 73.340000000000003 110.2 174.288 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.873 HD13 ' HA ' ' A' ' 88' ' ' LYS . 65.4 mt -66.31 -41.21 88.6 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 C-N-CA 123.497 0.719 . . . . 71.150000000000006 111.665 -177.836 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 50.7 p -62.26 -25.3 67.76 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 123.52 0.513 . . . . 64.129999999999995 110.793 174.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.89 -19.9 22.83 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.898 0.879 . . . . 71.310000000000002 112.439 178.464 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 74' ' ' ALA . 66.7 mt . . . . . 0 N--CA 1.49 1.568 0 CA-C-N 118.452 0.569 . . . . 71.230000000000004 110.055 -179.596 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 . . . . . 0 N--CA 1.482 1.159 0 CA-C-O 121.295 0.569 . . . . 73.200000000000003 110.491 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -75.16 -25.41 58.32 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 114.865 -1.061 . . . . 42.119999999999997 111.795 -176.187 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.873 ' HA ' HD13 ' A' ' 75' ' ' ILE . 57.0 tttp -65.08 -34.24 77.95 Favored 'General case' 0 C--N 1.351 0.674 0 C-N-CA 123.634 0.773 . . . . 73.219999999999999 111.134 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.494 ' HA ' ' HD3' ' A' ' 92' ' ' LYS . 78.4 mm-40 -59.24 -28.62 66.86 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.447 1.099 . . . . 75.349999999999994 112.103 178.161 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 54.3 mtm -68.98 -39.64 79.29 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.195 0.598 . . . . 74.329999999999998 111.511 -178.606 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.27 -39.6 95.05 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.019 0.527 . . . . 53.0 110.067 174.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.494 ' HD3' ' HA ' ' A' ' 89' ' ' GLU . 55.8 mtpt -64.83 -40.25 94.88 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 114.679 -1.146 . . . . 64.420000000000002 110.713 177.885 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 34.2 mmtm -62.62 -46.98 85.78 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.541 0.736 . . . . 73.349999999999994 110.667 178.106 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.83 -31.46 72.1 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 124.254 0.971 . . . . 75.239999999999995 111.635 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.407 ' O ' ' HG3' ' A' ' 99' ' ' GLN . 3.0 tm-20 -75.54 -33.72 60.71 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.136 0.974 . . . . 63.310000000000002 110.05 177.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -65.42 -42.64 92.29 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.433 0.693 . . . . 75.230000000000004 110.353 175.332 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 34.9 m0 -65.83 -37.35 85.99 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 115.663 -0.698 . . . . 73.209999999999994 110.428 177.027 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 51.7 tp -58.65 -43.76 89.89 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 124.198 0.936 . . . . 72.140000000000001 110.659 177.714 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.407 ' HG3' ' O ' ' A' ' 95' ' ' GLU . 71.1 mt-30 -60.71 -46.03 91.95 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.693 0.797 . . . . 73.219999999999999 110.561 176.099 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.62 -28.58 69.47 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.039 0.936 . . . . 74.209999999999994 111.92 -179.108 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 . . . . . 0 N--CA 1.475 0.82 0 C-N-CA 123.7 0.8 . . . . 72.200000000000003 112.802 179.537 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.554 1.125 0 N-CA-C 110.329 -0.249 . . . . 64.200000000000003 110.329 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.668 ' HB3' ' HB ' ' A' ' 5' ' ' ILE . 3.0 m-20 78.62 -49.41 0.45 Allowed 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 125.825 1.65 . . . . 64.549999999999997 113.066 174.599 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 60.45 -88.03 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 125.189 1.396 . . . . 73.430000000000007 112.153 172.043 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 -65.76 -43.0 90.22 Favored 'General case' 0 C--N 1.354 0.771 0 C-N-CA 123.868 0.867 . . . . 72.109999999999999 109.572 -179.249 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.668 ' HB ' ' HB3' ' A' ' 2' ' ' ASP . 85.9 mt -56.47 -47.08 82.25 Favored 'Isoleucine or valine' 0 C--N 1.353 0.721 0 O-C-N 124.431 1.082 . . . . 72.5 110.99 178.544 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.17 -37.75 69.99 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 124.38 1.05 . . . . 61.439999999999998 111.199 -176.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -69.44 -44.29 71.59 Favored 'General case' 0 CA--C 1.549 0.904 0 CA-C-N 115.137 -0.938 . . . . 55.520000000000003 110.645 174.166 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.557 ' HA ' ' HB3' ' A' ' 11' ' ' ALA . 28.0 m-85 -69.05 -20.1 64.1 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.798 0.839 . . . . 64.540000000000006 112.754 -178.505 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' A' ' 5' ' ' ILE . 48.4 mt-10 -67.76 -25.68 65.74 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 122.684 0.394 . . . . 73.439999999999998 110.353 173.389 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 38.3 mtmm -98.03 -21.21 16.93 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.163 0.985 . . . . 72.109999999999999 111.19 175.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.557 ' HB3' ' HA ' ' A' ' 8' ' ' PHE . . . -81.93 -34.69 29.74 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.167 0.587 . . . . 74.439999999999998 110.668 179.403 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.593 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 2.8 t80 -85.82 99.22 11.22 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 107.53 -1.285 . . . . 75.319999999999993 107.53 175.78 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.429 ' HG2' ' SD ' ' A' ' 24' ' ' MET . 46.0 pttt -80.74 177.77 8.81 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 122.927 0.491 . . . . 71.209999999999994 109.794 173.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 41.4 mtmt -66.4 87.57 0.12 Allowed 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 122.807 0.443 . . . . 74.239999999999995 110.941 -175.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.75 -30.13 40.72 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.002 0.921 . . . . 61.439999999999998 111.706 -178.23 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -94.48 19.95 9.02 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.638 0.775 . . . . 71.430000000000007 111.784 -168.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -150.92 18.2 0.78 Allowed 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.436 0.695 . . . . 74.200000000000003 110.408 173.062 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.705 HD12 ' HG2' ' A' ' 20' ' ' GLN . 0.3 OUTLIER -149.27 153.32 37.36 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 107.061 -1.459 . . . . 73.109999999999999 107.061 -173.854 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.45 ' H ' HD13 ' A' ' 18' ' ' LEU . 5.4 m-20 -83.51 39.62 0.68 Allowed 'General case' 0 N--CA 1.486 1.333 0 CA-C-O 121.192 0.52 . . . . 65.049999999999997 111.741 -179.347 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.705 ' HG2' HD12 ' A' ' 18' ' ' LEU . 30.8 mm-40 -115.75 120.16 38.4 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 106.94 -1.504 . . . . 64.219999999999999 106.94 168.585 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -137.81 -51.69 0.06 OUTLIER Glycine 0 N--CA 1.477 1.376 0 CA-C-N 118.119 0.418 . . . . 50.32 112.718 -176.071 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.36 -27.54 67.47 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 124.236 1.014 . . . . 62.009999999999998 112.555 -179.084 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.4 mt -68.97 -21.56 64.16 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 124.125 0.97 . . . . 63.409999999999997 111.28 177.149 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.429 ' SD ' ' HG2' ' A' ' 13' ' ' LYS . 23.1 mtm -129.88 -156.66 0.77 Allowed 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.384 1.074 . . . . 60.119999999999997 109.697 -175.775 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.65 -60.04 4.78 Favored Glycine 0 C--N 1.345 1.057 0 N-CA-C 110.722 -0.951 . . . . 63.329999999999998 110.722 -168.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.2 ttt85 -62.41 -24.5 67.44 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.89 1.276 . . . . 74.340000000000003 111.664 178.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.593 ' HB3' ' HD2' ' A' ' 12' ' ' TYR . . . -69.43 -44.53 71.15 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-O 119.212 -0.423 . . . . 63.43 110.577 174.124 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.486 ' HG ' ' CE2' ' A' ' 12' ' ' TYR . 13.6 mt -64.75 -36.15 83.39 Favored 'General case' 0 N--CA 1.488 1.469 0 CA-C-N 117.707 0.23 . . . . 74.099999999999994 110.679 173.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.451 ' CZ ' ' HG2' ' A' ' 66' ' ' ARG . 85.7 t80 -60.59 -44.09 96.62 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 123.688 0.618 . . . . 71.349999999999994 109.951 176.727 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -69.95 -38.35 76.13 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.096 0.558 . . . . 71.109999999999999 110.503 -177.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.413 HD12 HD23 ' A' ' 28' ' ' LEU . 83.4 mt -61.57 -41.25 89.47 Favored 'Isoleucine or valine' 0 C--N 1.358 0.968 0 C-N-CA 123.448 0.699 . . . . 62.549999999999997 109.623 173.596 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.98 -44.23 97.4 Favored Glycine 0 C--N 1.351 1.384 0 CA-C-N 114.979 -1.009 . . . . 74.430000000000007 112.174 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.443 ' O ' ' HG3' ' A' ' 37' ' ' LYS . 89.9 mt -54.83 -49.78 70.22 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.162 0.585 . . . . 72.430000000000007 110.002 175.563 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.443 ' HB2' HD11 ' A' ' 5' ' ' ILE . 31.9 mm-40 -61.84 -39.68 92.68 Favored 'General case' 0 CA--C 1.546 0.818 0 O-C-N 124.116 0.885 . . . . 71.030000000000001 112.208 -178.252 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.503 ' HE2' HD13 ' A' ' 5' ' ' ILE . 75.6 mmtt -60.64 -43.64 97.34 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 122.789 0.436 . . . . 51.409999999999997 110.223 179.259 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -69.55 -34.51 74.31 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.849 0.86 . . . . 74.329999999999998 110.603 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.443 ' HG3' ' O ' ' A' ' 33' ' ' LEU . 29.9 mtpp -66.1 -28.77 69.07 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 123.603 0.761 . . . . 74.510000000000005 111.204 177.054 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 68.5 mtm -92.05 1.83 56.95 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.421 0.688 . . . . 75.150000000000006 111.605 177.375 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 101.95 -27.33 20.88 Favored Glycine 0 C--N 1.35 1.318 0 N-CA-C 113.753 0.261 . . . . 63.549999999999997 113.753 174.041 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.2 mtmp? -83.78 76.11 10.03 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-O 121.423 0.63 . . . . 75.230000000000004 110.265 -176.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.76 -2.52 39.88 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.298 -0.865 . . . . 40.409999999999997 112.738 -175.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.439 ' O ' ' HG2' ' A' ' 46' ' ' GLU . 4.9 tpt180 -69.51 -55.5 10.04 Favored 'General case' 0 C--N 1.359 0.984 0 N-CA-C 109.937 -0.394 . . . . 74.209999999999994 109.937 175.522 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -62.73 -33.63 75.53 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 123.6 0.563 . . . . 75.430000000000007 110.184 177.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.56 -54.09 42.32 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 124.197 0.936 . . . . 62.020000000000003 111.225 173.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.61 -40.95 96.65 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.309 1.006 . . . . 75.310000000000002 111.412 -178.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' A' ' 42' ' ' ARG . 23.1 mm-40 -58.77 -46.56 87.24 Favored 'General case' 0 N--CA 1.479 1.012 0 O-C-N 123.907 0.755 . . . . 74.0 110.697 178.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -70.87 -32.5 69.51 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.622 -0.717 . . . . 71.219999999999999 112.054 -177.33 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -66.77 -33.19 75.08 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 123.623 0.577 . . . . 74.400000000000006 110.414 175.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -73.6 -50.69 19.87 Favored 'General case' 0 C--N 1.349 0.56 0 C-N-CA 123.23 0.612 . . . . 65.510000000000005 111.002 178.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.418 ' O ' HG23 ' A' ' 54' ' ' VAL . 58.7 mtp180 -64.57 -34.44 78.26 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.296 0.638 . . . . 74.530000000000001 110.287 -179.117 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.34 -46.4 83.64 Favored 'General case' 0 C--N 1.349 0.575 0 O-C-N 123.844 0.715 . . . . 55.009999999999998 109.805 172.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.4 -32.43 72.37 Favored 'General case' 0 C--N 1.355 0.837 0 O-C-N 124.039 0.837 . . . . 64.340000000000003 111.763 -178.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 85.7 mt -64.73 -44.73 96.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 123.241 0.616 . . . . 74.329999999999998 109.925 174.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 50' ' ' ARG . 70.6 t -63.33 -47.4 92.15 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.825 0 C-N-CA 123.351 0.66 . . . . 74.049999999999997 110.583 179.202 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -61.68 -40.69 95.86 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.506 0.722 . . . . 63.25 110.937 178.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -60.72 -50.53 73.09 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.963 0.905 . . . . 73.010000000000005 111.297 -179.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -61.78 -38.95 89.95 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.401 0.681 . . . . 75.420000000000002 112.015 176.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -84.49 -4.11 58.76 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 122.512 0.325 . . . . 70.310000000000002 111.707 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 59.48 29.28 18.82 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.785 1.234 . . . . 73.340000000000003 111.776 178.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -79.95 86.13 5.49 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.001 1.32 . . . . 61.109999999999999 107.838 176.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.87 -36.86 77.78 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.317 1.047 . . . . 74.219999999999999 112.884 -175.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -60.93 -57.44 12.64 Favored 'General case' 0 C--N 1.352 0.682 0 O-C-N 123.712 0.633 . . . . 72.409999999999997 110.074 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -65.75 -34.48 88.93 Favored Glycine 0 C--N 1.337 0.611 0 O-C-N 124.309 1.006 . . . . 70.200000000000003 113.233 -178.085 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 63.7 tp -67.23 -40.98 86.41 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.169 0.588 . . . . 72.200000000000003 110.368 178.259 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 44.8 ttm180 -68.54 -36.99 79.57 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.186 0.994 . . . . 74.239999999999995 110.207 177.273 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.451 ' HG2' ' CZ ' ' A' ' 29' ' ' TYR . 60.6 ttm-85 -73.8 -36.26 64.98 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 114.333 -1.303 . . . . 74.109999999999999 110.253 -177.312 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.483 ' O ' ' HB2' ' A' ' 71' ' ' LEU . . . -75.2 -41.11 58.53 Favored 'General case' 0 C--O 1.219 -0.541 0 CA-C-N 115.274 -0.875 . . . . 41.340000000000003 110.185 179.187 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.33 -45.82 92.84 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 124.466 1.104 . . . . 45.219999999999999 111.182 178.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.404 ' HB3' ' HE2' ' A' ' 69' ' ' LYS . 34.1 ttpt -61.6 -51.04 70.17 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 114.136 -1.393 . . . . 75.319999999999993 110.845 -179.082 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 50.4 m -70.14 -28.25 65.2 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.607 0.763 . . . . 73.230000000000004 111.644 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.483 ' HB2' ' O ' ' A' ' 67' ' ' ALA . 0.6 OUTLIER -60.44 -56.13 25.15 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.622 0.769 . . . . 72.230000000000004 109.943 -176.507 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.534 ' HA ' HD12 ' A' ' 75' ' ' ILE . 25.2 pttm -63.59 -31.3 72.43 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 124.06 0.85 . . . . 74.230000000000004 111.994 -173.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.533 ' HG3' ' HG3' ' A' ' 72' ' ' LYS . 41.6 mt-10 -87.26 -22.31 25.26 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.692 0.797 . . . . 71.019999999999996 111.554 -176.006 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.02 -31.31 61.34 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 110.014 -0.365 . . . . 73.340000000000003 110.014 170.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.844 HD13 ' HA ' ' A' ' 88' ' ' LYS . 70.2 mt -66.43 -42.08 89.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 124.185 0.994 . . . . 71.140000000000001 111.824 179.234 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 82.6 p -70.0 -16.38 63.17 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 116.187 -0.46 . . . . 74.349999999999994 110.631 177.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -99.64 -0.08 40.99 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 124.238 1.015 . . . . 64.540000000000006 112.192 179.012 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 59.3 mt -65.07 130.59 94.9 Favored Pre-proline 0 N--CA 1.489 1.487 0 C-N-CA 122.987 0.515 . . . . 73.319999999999993 110.587 178.363 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -73.41 -160.31 0.09 OUTLIER 'Trans proline' 0 C--N 1.382 2.333 0 C-N-CA 123.249 2.633 . . . . 74.519999999999996 113.035 178.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -58.87 161.21 5.08 Favored 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 123.773 0.829 . . . . 70.400000000000006 110.96 179.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 62.13 24.61 14.67 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.401 0.68 . . . . 73.230000000000004 110.201 -164.158 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -52.51 102.99 0.06 Allowed 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.41 1.084 . . . . 73.120000000000005 109.839 175.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -59.27 -32.04 71.07 Favored Glycine 0 C--N 1.351 1.372 0 CA-C-N 115.062 -0.972 . . . . 55.200000000000003 114.175 -171.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 59.78 -83.83 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.974 1.31 . . . . 65.030000000000001 111.886 176.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -72.84 4.6 3.95 Favored 'General case' 0 CA--C 1.558 1.286 0 C-N-CA 123.406 0.683 . . . . 75.420000000000002 112.238 -174.068 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -112.66 -55.44 2.52 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 123.008 0.523 . . . . 64.420000000000002 110.377 171.19 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -76.08 -39.38 55.48 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 122.922 0.489 . . . . 51.399999999999999 111.726 -171.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.844 ' HA ' HD13 ' A' ' 75' ' ' ILE . 14.9 tmtt? -70.63 -32.58 69.95 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.424 0.689 . . . . 71.219999999999999 111.457 -175.649 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -65.24 -27.44 68.66 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.809 0.843 . . . . 53.109999999999999 112.004 178.357 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 39.5 mtm -62.53 -34.95 77.94 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.387 0.675 . . . . 52.219999999999999 111.746 176.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.427 ' O ' ' HG2' ' A' ' 95' ' ' GLU . . . -62.44 -42.84 99.75 Favored 'General case' 0 C--N 1.348 0.508 0 O-C-N 123.59 0.556 . . . . 63.439999999999998 109.842 174.111 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.511 ' O ' ' HG2' ' A' ' 96' ' ' GLU . 7.7 mtpm? -63.58 -35.55 80.89 Favored 'General case' 0 C--N 1.353 0.759 0 O-C-N 124.356 1.035 . . . . 74.109999999999999 111.191 178.585 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -60.62 -49.96 75.42 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.26 0.624 . . . . 72.319999999999993 110.474 174.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.83 -29.53 70.49 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 114.82 -1.082 . . . . 74.209999999999994 111.628 -178.34 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 91' ' ' ALA . 75.6 mm-40 -60.95 -51.55 68.79 Favored 'General case' 0 C--N 1.357 0.911 0 C-N-CA 123.225 0.61 . . . . 73.010000000000005 110.224 171.185 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.511 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 23.6 mm-40 -63.46 -41.74 98.62 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 115.422 -0.808 . . . . 74.209999999999994 111.593 -174.008 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 48.1 m0 -63.81 -46.31 85.72 Favored 'General case' 0 C--N 1.345 0.409 0 O-C-N 124.086 0.866 . . . . 72.25 110.11 179.336 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.437 ' O ' ' HG2' ' A' ' 102' ' ' GLN . 47.4 tp -63.48 -48.32 78.14 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 124.12 0.888 . . . . 74.120000000000005 111.763 -176.029 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -66.01 -36.37 83.09 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.001 0.52 . . . . 71.150000000000006 111.259 -177.089 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.38 -29.6 62.73 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 116.025 -0.534 . . . . 43.310000000000002 110.818 178.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 -65.43 -30.61 71.43 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 122.965 0.506 . . . . 62.530000000000001 110.72 173.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.437 ' HG2' ' O ' ' A' ' 98' ' ' LEU . 13.8 mm100 -82.9 -71.87 0.47 Allowed 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 109.838 -0.43 . . . . 75.129999999999995 109.838 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 65.7 t30 52.24 33.21 12.09 Favored 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 124.474 1.109 . . . . 75.340000000000003 111.655 176.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 48.7 t30 . . . . . 0 C--O 1.248 1.01 0 C-N-CA 123.921 0.888 . . . . 72.109999999999999 109.695 -175.978 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.871 0 CA-C-O 121.047 0.451 . . . . 72.299999999999997 109.793 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -116.85 20.74 13.76 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 124.13 0.972 . . . . 74.400000000000006 110.098 173.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -65.12 -47.08 78.41 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.864 1.265 . . . . 72.109999999999999 109.906 -177.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -74.25 -40.72 62.18 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.907 0.883 . . . . 73.420000000000002 109.662 177.335 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.459 HD11 ' HB2' ' A' ' 34' ' ' GLU . 53.4 mt -59.21 -38.44 74.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 124.459 1.104 . . . . 61.210000000000001 112.223 -176.704 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.16 -29.03 67.13 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.705 0.802 . . . . 71.209999999999994 111.709 -178.651 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -76.78 -40.87 46.76 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.621 0.768 . . . . 44.219999999999999 110.048 176.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -68.74 -21.04 64.4 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.367 0.667 . . . . 62.420000000000002 111.591 178.404 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -64.36 -51.17 64.66 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.158 0.583 . . . . 74.0 110.345 172.027 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -67.11 -30.82 70.93 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 115.707 -0.679 . . . . 71.299999999999997 110.308 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.1 -38.73 75.72 Favored 'General case' 0 C--O 1.24 0.578 0 C-N-CA 123.654 0.782 . . . . 72.340000000000003 110.896 176.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.645 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 2.9 t80 -93.95 96.44 9.71 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-O 121.855 0.836 . . . . 74.299999999999997 110.761 -174.574 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -90.54 25.93 2.14 Favored 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 125.374 1.47 . . . . 54.229999999999997 112.262 -178.078 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 69.95 116.47 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.675 0 C-N-CA 124.633 1.173 . . . . 74.150000000000006 111.125 -178.539 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.423 ' HB1' ' HA2' ' A' ' 21' ' ' GLY . . . -114.09 19.89 16.09 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.298 0.639 . . . . 74.209999999999994 111.811 -175.124 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -106.87 -60.98 1.6 Allowed 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.563 0.745 . . . . 51.119999999999997 109.274 -178.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -62.36 -35.97 80.8 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 115.253 -0.885 . . . . 74.219999999999999 110.507 175.014 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 56.2 mt -89.43 135.41 33.61 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 108.256 -1.016 . . . . 64.200000000000003 108.256 172.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -71.14 -18.17 62.52 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.275 0.63 . . . . 71.25 110.014 174.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -58.87 115.64 3.24 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.653 1.181 . . . . 73.409999999999997 109.11 169.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.423 ' HA2' ' HB1' ' A' ' 15' ' ' ALA . . . -122.0 -43.12 0.42 Allowed Glycine 0 N--CA 1.474 1.218 0 N-CA-C 111.736 -0.546 . . . . 73.099999999999994 111.736 -179.482 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.65 -31.33 66.19 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 124.897 1.279 . . . . 75.340000000000003 112.85 -179.279 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.459 ' HB2' ' SD ' ' A' ' 24' ' ' MET . 72.1 mt -68.79 -26.58 65.27 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 115.688 -0.687 . . . . 73.109999999999999 111.088 -179.559 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.459 ' SD ' ' HB2' ' A' ' 23' ' ' LEU . 4.1 mpp? -123.21 -114.07 0.31 Allowed 'General case' 0 CA--C 1.562 1.437 0 C-N-CA 123.976 0.91 . . . . 60.240000000000002 109.725 -179.113 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.76 -80.4 0.05 OUTLIER Glycine 0 C--N 1.368 2.342 0 C-N-CA 124.177 0.894 . . . . 40.140000000000001 114.338 -177.61 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 28.0 mmt180 -55.1 -31.12 60.98 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 125.399 1.48 . . . . 72.109999999999999 113.184 -175.569 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.645 ' HB3' ' HD2' ' A' ' 12' ' ' TYR . . . -61.7 -37.25 83.47 Favored 'General case' 0 CA--C 1.551 0.996 0 CA-C-O 119.025 -0.512 . . . . 73.209999999999994 112.021 -176.526 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.717 HD23 HD12 ' A' ' 31' ' ' ILE . 15.4 mt -70.35 -33.72 71.79 Favored 'General case' 0 N--CA 1.491 1.575 0 CA-C-N 118.123 0.42 . . . . 64.409999999999997 111.451 176.115 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -60.8 -42.31 97.37 Favored 'General case' 0 CA--C 1.548 0.866 0 O-C-N 123.799 0.687 . . . . 75.420000000000002 110.11 178.143 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -66.63 -35.65 80.68 Favored 'General case' 0 N--CA 1.483 1.214 0 O-C-N 123.655 0.597 . . . . 63.0 111.688 178.299 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.717 HD12 HD23 ' A' ' 28' ' ' LEU . 91.9 mt -64.58 -42.54 95.43 Favored 'Isoleucine or valine' 0 C--N 1.354 0.775 0 N-CA-C 109.223 -0.658 . . . . 60.409999999999997 109.223 177.438 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.94 -40.6 99.49 Favored Glycine 0 C--N 1.353 1.527 0 CA-C-N 115.35 -0.841 . . . . 64.409999999999997 112.924 178.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.2 mt -57.65 -46.72 83.84 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.305 0.642 . . . . 71.109999999999999 110.298 177.005 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.459 ' HB2' HD11 ' A' ' 5' ' ' ILE . 25.5 mm-40 -61.47 -42.16 98.35 Favored 'General case' 0 N--CA 1.476 0.854 0 O-C-N 124.114 0.884 . . . . 75.219999999999999 111.419 179.128 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.444 ' HG2' ' O ' ' A' ' 31' ' ' ILE . 75.6 mmtt -61.23 -45.48 94.36 Favored 'General case' 0 N--CA 1.478 0.948 0 O-C-N 123.749 0.655 . . . . 72.5 110.304 179.146 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -65.22 -34.9 79.46 Favored 'General case' 0 N--CA 1.482 1.134 0 O-C-N 123.913 0.758 . . . . 74.140000000000001 110.394 -177.253 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.19 -28.22 63.06 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.733 0.813 . . . . 71.510000000000005 112.124 177.05 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 78.4 mtm -85.22 -0.96 56.3 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.339 0.656 . . . . 73.420000000000002 111.468 176.32 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.76 1.33 89.3 Favored Glycine 0 C--N 1.355 1.595 0 O-C-N 122.966 0.167 . . . . 65.340000000000003 113.051 -176.382 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -84.74 61.85 7.02 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.697 1.199 . . . . 62.149999999999999 109.342 177.539 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.506 ' HB1' ' O ' ' A' ' 74' ' ' ALA . . . -67.74 -19.44 65.13 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 114.021 -1.445 . . . . 72.030000000000001 112.351 -173.14 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 25.4 tpt85 -66.03 -51.9 54.09 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.745 0.818 . . . . 50.119999999999997 110.343 176.12 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -71.3 -31.6 67.62 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 116.457 -0.338 . . . . 74.420000000000002 110.384 176.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.35 -55.25 37.27 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 123.275 0.359 . . . . 60.240000000000002 110.421 178.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.42 -44.11 84.36 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 124.675 1.234 . . . . 60.32 111.722 -175.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.466 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 12.0 pt-20 -71.68 -35.38 70.27 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 119.199 -0.429 . . . . 65.049999999999997 111.566 -177.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.446 ' CD1' HD22 ' A' ' 28' ' ' LEU . 19.1 m-85 -69.15 -31.89 70.86 Favored 'General case' 0 N--CA 1.484 1.226 0 CA-C-N 118.353 0.524 . . . . 74.430000000000007 111.621 178.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -66.76 -38.09 85.9 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 123.907 0.754 . . . . 71.319999999999993 110.007 170.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -68.95 -46.66 67.63 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.659 0.784 . . . . 64.099999999999994 111.994 -178.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.466 ' HG3' ' O ' ' A' ' 46' ' ' GLU . 61.9 mtt-85 -62.96 -42.68 99.89 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.239 1.015 . . . . 65.420000000000002 109.684 -178.088 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.23 -39.73 89.78 Favored 'General case' 0 C--N 1.351 0.664 0 CA-C-N 114.485 -1.234 . . . . 71.340000000000003 110.176 175.555 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.6 -32.14 73.09 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.642 0.777 . . . . 73.219999999999999 112.017 -177.537 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 84.3 mt -62.49 -39.54 84.81 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.267 0 C-N-CA 123.556 0.742 . . . . 62.409999999999997 110.336 174.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.476 ' HA ' ' HE3' ' A' ' 57' ' ' LYS . 40.4 t -72.76 -37.72 56.04 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.596 0 C-N-CA 123.938 0.895 . . . . 72.019999999999996 110.442 -179.039 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -72.07 -28.36 63.27 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 115.833 -0.621 . . . . 75.409999999999997 110.762 175.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -75.17 -48.52 23.21 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.385 0.674 . . . . 73.109999999999999 111.06 -179.499 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.476 ' HE3' ' HA ' ' A' ' 54' ' ' VAL . 18.1 ptpt -63.34 -35.28 79.87 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 116.098 -0.501 . . . . 63.299999999999997 111.514 -178.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -86.31 -10.08 55.17 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.045 0.538 . . . . 73.530000000000001 111.296 176.325 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 65.62 29.22 11.04 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 124.386 1.075 . . . . 74.109999999999999 112.471 177.597 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -80.06 94.5 5.96 Favored 'General case' 0 C--N 1.346 0.449 0 N-CA-C 108.565 -0.902 . . . . 73.109999999999999 108.565 172.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 20.5 p -63.37 -27.97 69.68 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 114.879 -1.055 . . . . 51.130000000000003 112.283 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -64.79 -57.69 8.23 Favored 'General case' 0 C--N 1.35 0.618 0 O-C-N 123.9 0.75 . . . . 74.299999999999997 110.08 -176.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -67.8 -36.74 87.66 Favored Glycine 0 C--N 1.342 0.863 0 O-C-N 124.454 1.096 . . . . 64.430000000000007 112.894 178.305 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 61.2 tp -62.43 -36.76 83.41 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 123.366 0.666 . . . . 72.310000000000002 110.594 178.206 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 37.4 ttt180 -72.48 -43.65 63.4 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.833 0.853 . . . . 62.539999999999999 110.039 178.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.7 mmt180 -59.25 -44.1 92.39 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 124.049 0.843 . . . . 63.229999999999997 110.919 177.533 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.501 ' O ' ' HB2' ' A' ' 71' ' ' LEU . . . -71.36 -45.32 63.19 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 115.057 -0.974 . . . . 72.030000000000001 110.287 -178.059 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.43 -43.66 96.83 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.665 0.786 . . . . 55.149999999999999 111.95 -178.311 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.466 ' O ' ' HG2' ' A' ' 73' ' ' GLU . 11.1 tmtt? -66.42 -51.56 55.67 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 115.027 -0.988 . . . . 72.439999999999998 108.698 -177.383 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.2 t -67.41 -27.88 67.45 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 123.274 0.629 . . . . 74.5 111.293 -177.439 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.501 ' HB2' ' O ' ' A' ' 67' ' ' ALA . 1.5 tt -58.99 -56.53 21.01 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 124.563 1.145 . . . . 72.230000000000004 109.984 -178.379 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.552 ' HA ' HD12 ' A' ' 75' ' ' ILE . 14.4 ptmm? -68.49 -30.36 69.18 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 115.506 -0.77 . . . . 60.030000000000001 111.765 -177.027 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.466 ' HG2' ' O ' ' A' ' 69' ' ' LYS . 11.2 mm-40 -72.65 -26.77 61.77 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.396 0.678 . . . . 73.319999999999993 111.275 178.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.506 ' O ' ' HB1' ' A' ' 41' ' ' ALA . . . -71.96 -39.59 69.25 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-O 120.914 0.388 . . . . 73.239999999999995 110.003 172.188 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.748 HD13 ' HA ' ' A' ' 88' ' ' LYS . 77.9 mt -64.93 -32.22 57.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 C-N-CA 124.018 0.927 . . . . 74.120000000000005 112.99 -174.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 63.1 p -64.25 -20.51 66.1 Favored 'General case' 0 CA--C 1.554 1.123 0 CA-C-O 120.825 0.345 . . . . 74.109999999999999 111.286 175.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -104.59 4.16 32.54 Favored 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 124.185 0.994 . . . . 73.109999999999999 112.48 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 64.6 mt -79.05 133.59 61.01 Favored Pre-proline 0 N--CA 1.488 1.428 0 N-CA-C 109.426 -0.583 . . . . 75.150000000000006 109.426 174.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -64.21 151.12 86.69 Favored 'Trans proline' 0 C--N 1.385 2.485 0 C-N-CA 122.659 2.239 . . . . 74.230000000000004 111.628 173.121 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.525 ' HA ' ' HG3' ' A' ' 84' ' ' ARG . 49.4 mt-10 -59.81 -25.71 65.18 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 123.835 0.854 . . . . 64.329999999999998 112.478 -178.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -83.18 98.16 9.22 Favored 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 123.865 0.866 . . . . 40.420000000000002 109.758 176.603 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 71.81 147.67 0.08 Allowed 'General case' 0 CA--C 1.568 1.651 0 C-N-CA 124.968 1.307 . . . . 73.530000000000001 110.825 175.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 95.34 -30.9 7.59 Favored Glycine 0 C--N 1.353 1.522 0 O-C-N 121.811 -0.556 . . . . 55.530000000000001 113.697 -177.195 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.525 ' HG3' ' HA ' ' A' ' 80' ' ' GLU . 10.2 mmm180 -72.34 -37.53 68.83 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.151 0.58 . . . . 75.219999999999999 111.165 -175.044 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -71.21 -59.72 2.62 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 115.945 -0.571 . . . . 72.409999999999997 109.893 177.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -67.35 -63.09 1.13 Allowed 'General case' 0 C--O 1.246 0.885 0 CA-C-N 115.635 -0.711 . . . . 75.310000000000002 111.568 -174.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.449 ' HA ' ' HE2' ' A' ' 90' ' ' MET . . . -65.63 -35.07 79.74 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 112.655 0.613 . . . . 73.0 112.655 -166.165 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.748 ' HA ' HD13 ' A' ' 75' ' ' ILE . 55.1 tttp -65.38 -37.94 88.51 Favored 'General case' 0 C--N 1.353 0.755 0 O-C-N 123.427 0.454 . . . . 75.209999999999994 111.003 -179.681 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -66.39 -33.13 75.02 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 123.624 0.77 . . . . 75.25 109.502 176.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.449 ' HE2' ' HA ' ' A' ' 87' ' ' ALA . 58.9 mtm -69.41 -32.47 71.47 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.104 0.562 . . . . 63.409999999999997 111.266 178.283 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.41 ' O ' ' HG2' ' A' ' 95' ' ' GLU . . . -64.3 -38.02 89.54 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 122.359 0.263 . . . . 42.5 110.449 169.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.444 ' O ' ' HG2' ' A' ' 96' ' ' GLU . 51.9 mtpt -63.89 -37.82 88.82 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 123.822 0.701 . . . . 71.319999999999993 110.465 178.359 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 39.4 mmtm -63.34 -43.15 98.55 Favored 'General case' 0 N--CA 1.481 1.111 0 O-C-N 123.69 0.619 . . . . 60.210000000000001 110.188 174.383 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.34 -31.73 73.0 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.023 -0.989 . . . . 73.109999999999999 111.328 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.482 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 68.1 mm-40 -64.33 -51.44 63.42 Favored 'General case' 0 C--N 1.359 1.01 0 O-C-N 123.754 0.659 . . . . 72.200000000000003 109.247 172.269 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 28.3 mm-40 -55.94 -46.48 78.51 Favored 'General case' 0 N--CA 1.479 1.009 0 O-C-N 124.098 0.874 . . . . 71.310000000000002 111.36 -176.17 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 47.9 m0 -66.43 -46.68 75.66 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 123.95 0.781 . . . . 64.430000000000007 111.026 -178.222 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.454 ' O ' ' HG2' ' A' ' 102' ' ' GLN . 34.2 tp -60.86 -41.57 96.19 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 124.032 0.833 . . . . 60.140000000000001 110.953 -177.559 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.482 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 63.9 mm-40 -75.6 -30.96 59.76 Favored 'General case' 0 N--CA 1.479 1.017 0 O-C-N 123.858 0.724 . . . . 73.310000000000002 110.693 179.589 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.59 -33.55 76.18 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.16 0.584 . . . . 72.319999999999993 110.498 178.169 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -75.99 -19.7 58.49 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 115.447 -0.797 . . . . 74.239999999999995 112.131 178.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.454 ' HG2' ' O ' ' A' ' 98' ' ' LEU . 74.6 mm-40 -78.2 149.97 33.59 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.452 0.701 . . . . 73.5 109.229 177.528 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -57.01 112.13 1.25 Allowed 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.775 0.83 . . . . 64.099999999999994 111.992 -177.213 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 45.6 t30 . . . . . 0 CA--C 1.562 1.413 0 O-C-N 124.6 1.187 . . . . 74.439999999999998 109.879 177.833 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.029 0 N-CA-C 109.788 -0.449 . . . . 73.420000000000002 109.788 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 31.9 t70 60.86 100.45 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.982 1.313 . . . . 64.129999999999995 111.645 -178.094 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -146.56 -37.73 0.23 Allowed 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.78 0.832 . . . . 73.219999999999999 110.267 -174.535 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -63.31 -34.93 78.77 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.648 0.779 . . . . 43.210000000000001 110.871 -176.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.48 HD13 ' HE2' ' A' ' 35' ' ' LYS . 21.1 mt -57.76 -44.42 85.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 124.087 0.955 . . . . 74.219999999999999 110.994 173.441 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.71 -25.93 68.15 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.486 0.715 . . . . 32.219999999999999 111.439 -179.066 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -69.74 -38.69 76.91 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.083 0.553 . . . . 72.129999999999995 110.55 175.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -77.24 -26.85 53.0 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 122.981 0.513 . . . . 61.049999999999997 110.846 177.637 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -69.25 -37.93 78.2 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.69 0.796 . . . . 62.32 110.192 173.176 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 54.1 tptt -71.47 -33.36 69.23 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 123.701 0.626 . . . . 74.120000000000005 109.904 175.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.3 -30.2 67.13 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 115.707 -0.679 . . . . 43.43 110.695 173.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.556 ' CE2' ' HG ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER -92.88 -174.27 3.55 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 123.353 0.661 . . . . 74.420000000000002 109.825 177.185 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.509 ' H ' ' HD1' ' A' ' 12' ' ' TYR . 11.5 mptt 55.99 -174.08 0.06 Allowed 'General case' 0 C--N 1.364 1.2 0 C-N-CA 124.659 1.184 . . . . 75.519999999999996 110.259 -163.234 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.6 tttm 63.33 0.14 0.75 Allowed 'General case' 0 CA--C 1.564 1.511 0 N-CA-C 113.251 0.834 . . . . 73.540000000000006 113.251 176.409 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.6 -34.62 53.43 Favored 'General case' 0 C--N 1.349 0.585 0 C-N-CA 123.3 0.64 . . . . 63.009999999999998 110.239 -173.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -73.33 -18.31 61.2 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 115.23 -0.896 . . . . 74.510000000000005 110.133 -174.208 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -59.46 -43.35 93.24 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.443 1.097 . . . . 73.439999999999998 110.958 177.403 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.2 tt -117.45 -10.37 10.69 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.56 0.744 . . . . 73.219999999999999 110.957 -175.296 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.3 t30 67.65 83.08 0.17 Allowed 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 124.142 0.977 . . . . 64.319999999999993 108.972 -167.116 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -124.89 14.6 8.57 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 124.012 0.925 . . . . 73.409999999999997 111.211 -175.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.28 78.58 0.04 OUTLIER Glycine 0 C--N 1.359 1.852 0 O-C-N 124.191 0.932 . . . . 50.219999999999999 113.201 -177.362 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -167.81 -61.61 0.03 OUTLIER 'General case' 0 CA--C 1.523 -0.077 0 N-CA-C 106.319 -1.734 . . . . 63.310000000000002 106.319 -173.06 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.6 mt -52.72 -40.36 62.95 Favored 'General case' 0 N--CA 1.483 1.182 0 O-C-N 125.011 1.444 . . . . 54.549999999999997 111.704 -175.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -82.15 -146.8 0.07 Allowed 'General case' 0 CA--C 1.555 1.154 0 CA-C-N 114.672 -1.149 . . . . 63.420000000000002 110.108 176.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.55 -64.6 4.26 Favored Glycine 0 C--N 1.353 1.516 0 N-CA-C 110.39 -1.084 . . . . 22.440000000000001 110.39 -170.217 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 36.9 ptt180 -55.12 -25.87 34.53 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.431 1.093 . . . . 73.219999999999999 112.311 173.177 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.17 -50.39 73.85 Favored 'General case' 0 C--N 1.351 0.673 0 C-N-CA 123.262 0.625 . . . . 53.420000000000002 110.347 173.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.589 HD23 HD12 ' A' ' 31' ' ' ILE . 75.7 mt -67.85 -35.84 79.28 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 122.426 0.29 . . . . 75.040000000000006 111.245 177.212 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -56.81 -44.66 82.2 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 122.955 0.502 . . . . 75.450000000000003 110.536 176.201 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -68.83 -35.65 77.23 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 115.697 -0.683 . . . . 73.329999999999998 110.962 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.589 HD12 HD23 ' A' ' 28' ' ' LEU . 88.5 mt -62.64 -38.96 82.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 123.114 0.565 . . . . 63.140000000000001 109.839 173.093 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.67 -38.22 95.91 Favored Glycine 0 C--N 1.349 1.269 0 O-C-N 124.171 0.919 . . . . 51.119999999999997 112.107 177.029 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 93.4 mt -62.35 -42.36 99.33 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 122.898 0.479 . . . . 73.109999999999999 110.103 177.111 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -64.88 -46.9 79.83 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 124.172 0.92 . . . . 73.420000000000002 110.837 179.202 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.48 ' HE2' HD13 ' A' ' 5' ' ' ILE . 73.2 mmtt -58.03 -50.2 74.24 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.412 0.685 . . . . 71.519999999999996 110.339 178.721 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -63.03 -36.56 83.99 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.379 1.072 . . . . 72.439999999999998 110.489 -176.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -67.56 -33.8 75.78 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.905 1.282 . . . . 73.349999999999994 111.249 177.068 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 75.1 mtm -85.42 -0.05 53.68 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.611 0.765 . . . . 53.439999999999998 111.572 177.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 95.46 -8.86 69.23 Favored Glycine 0 C--N 1.35 1.325 0 C-N-CA 122.978 0.323 . . . . 71.230000000000004 112.977 178.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 51.7 mttm -81.11 55.68 2.58 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.818 1.247 . . . . 75.420000000000002 110.929 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.77 -19.24 65.08 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.022 0.529 . . . . 65.349999999999994 111.654 179.386 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.699 ' HG2' ' HA3' ' A' ' 83' ' ' GLY . 0.0 OUTLIER -63.85 -56.34 16.13 Favored 'General case' 0 C--N 1.358 0.945 0 N-CA-C 108.044 -1.095 . . . . 63.100000000000001 108.044 172.624 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -66.46 -34.17 77.33 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 115.081 -0.963 . . . . 73.510000000000005 110.552 -178.442 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.81 -43.34 98.32 Favored 'General case' 0 C--N 1.352 0.713 0 C-N-CA 124.234 1.014 . . . . 72.140000000000001 111.296 179.245 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.09 -36.69 73.22 Favored 'General case' 0 C--N 1.352 0.675 0 O-C-N 124.566 1.166 . . . . 51.219999999999999 111.63 -179.276 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -59.36 -53.23 60.61 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.682 0.793 . . . . 71.430000000000007 110.812 174.241 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.542 ' HD1' HD22 ' A' ' 28' ' ' LEU . 72.2 m-85 -66.19 -34.08 77.22 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 115.298 -0.865 . . . . 63.340000000000003 112.385 -175.008 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -69.22 -34.72 75.29 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.074 0.549 . . . . 72.230000000000004 110.769 177.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -71.9 -48.51 45.09 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.016 0.526 . . . . 72.209999999999994 110.605 -179.417 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 72.8 mtp180 -63.41 -31.53 72.71 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 124.259 0.974 . . . . 65.510000000000005 110.764 179.261 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.59 -48.53 66.57 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 123.606 0.762 . . . . 72.340000000000003 109.912 173.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.4 -33.29 72.27 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 124.225 0.953 . . . . 73.150000000000006 111.965 -177.378 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 96.7 mt -57.32 -45.46 85.16 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 C-N-CA 123.642 0.777 . . . . 74.409999999999997 110.621 175.457 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 25.8 t -62.43 -49.9 82.05 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 123.661 0.784 . . . . 74.409999999999997 110.266 -177.163 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -67.73 -28.57 67.76 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 115.537 -0.756 . . . . 74.200000000000003 111.979 -179.086 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -68.63 -47.58 66.26 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 122.919 0.488 . . . . 72.010000000000005 110.805 178.02 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -60.24 -40.55 90.64 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.326 0.651 . . . . 62.520000000000003 111.428 175.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -81.59 -3.37 53.15 Favored 'General case' 0 C--O 1.24 0.572 0 CA-C-N 115.554 -0.748 . . . . 71.109999999999999 111.713 178.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 59.23 24.53 12.98 Favored 'General case' 0 C--N 1.361 1.08 0 C-N-CA 125.333 1.453 . . . . 72.140000000000001 112.566 174.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -86.04 100.74 12.37 Favored 'General case' 0 C--O 1.24 0.574 0 N-CA-C 108.288 -1.004 . . . . 74.310000000000002 108.288 177.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 66.6 p -67.68 -25.13 65.54 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.099 0.96 . . . . 52.149999999999999 112.475 -174.05 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -65.95 -58.15 6.2 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.309 0.643 . . . . 71.310000000000002 110.545 -177.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -70.31 -32.06 68.61 Favored Glycine 0 C--N 1.346 1.088 0 O-C-N 124.287 0.992 . . . . 74.150000000000006 112.628 -177.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 53.6 tp -65.08 -47.09 78.51 Favored 'General case' 0 C--N 1.349 0.56 0 C-N-CA 123.317 0.647 . . . . 53.109999999999999 110.06 176.473 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 -67.07 -39.19 86.79 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.899 0.879 . . . . 61.439999999999998 110.209 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 51.6 ttm-85 -61.42 -47.15 87.08 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.466 1.106 . . . . 75.140000000000001 110.181 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.508 ' O ' ' HB2' ' A' ' 71' ' ' LEU . . . -75.05 -31.92 61.41 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 115.236 -0.893 . . . . 72.239999999999995 111.475 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.12 -46.17 71.63 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.825 0.85 . . . . 73.439999999999998 111.405 -179.316 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.423 ' NZ ' ' HB3' ' A' ' 69' ' ' LYS . 9.4 mtpm? -67.22 -49.76 63.34 Favored 'General case' 0 C--N 1.342 0.266 0 CA-C-N 114.961 -1.018 . . . . 63.5 110.38 178.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.9 t -63.19 -29.58 70.9 Favored 'General case' 0 C--N 1.355 0.839 0 O-C-N 124.132 0.895 . . . . 63.420000000000002 110.933 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.508 ' HB2' ' O ' ' A' ' 67' ' ' ALA . 1.4 tt -61.16 -55.4 32.69 Favored 'General case' 0 C--N 1.361 1.069 0 N-CA-C 108.654 -0.869 . . . . 72.400000000000006 108.654 173.637 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.8 tmtt? -60.87 -36.33 78.91 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 124.817 1.247 . . . . 65.0 111.468 -178.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -70.94 -31.02 67.49 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.195 0.998 . . . . 70.510000000000005 110.323 178.333 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.434 ' O ' HG13 ' A' ' 78' ' ' ILE . . . -72.98 -33.07 65.6 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.132 0.573 . . . . 70.239999999999995 110.778 173.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.653 HG21 ' HG2' ' A' ' 88' ' ' LYS . 32.4 mm -62.82 -51.34 73.16 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 O-C-N 123.873 0.733 . . . . 75.120000000000005 111.113 -177.36 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 33.7 p -74.01 -4.67 36.76 Favored 'General case' 0 CA--C 1.552 1.023 0 CA-C-N 114.76 -1.109 . . . . 75.209999999999994 111.715 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -107.05 -4.89 18.48 Favored 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 124.107 0.963 . . . . 50.030000000000001 112.543 174.39 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' ' 74' ' ' ALA . 63.6 mt -57.58 124.82 69.95 Favored Pre-proline 0 N--CA 1.493 1.723 0 C-N-CA 123.064 0.546 . . . . 75.030000000000001 111.763 -175.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -74.33 150.77 42.16 Favored 'Trans proline' 0 C--N 1.377 2.036 0 C-N-CA 122.354 2.036 . . . . 44.210000000000001 110.887 173.195 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 67.59 167.21 0.24 Allowed 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 124.651 1.18 . . . . 65.430000000000007 111.636 -179.184 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -73.26 -25.95 60.9 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 115.851 -0.613 . . . . 65.310000000000002 110.408 175.374 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -72.54 145.15 47.65 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.694 -0.684 . . . . 74.099999999999994 110.167 176.365 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.699 ' HA3' ' HG2' ' A' ' 42' ' ' ARG . . . 89.52 -30.79 5.49 Favored Glycine 0 C--N 1.341 0.834 0 CA-C-O 119.173 -0.793 . . . . 54.43 114.643 -175.171 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.561 ' O ' ' HB2' ' A' ' 88' ' ' LYS . 23.2 mmt180 -53.89 -56.05 21.21 Favored 'General case' 0 C--N 1.351 0.66 0 C-N-CA 123.252 0.621 . . . . 72.340000000000003 111.808 -173.493 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -69.27 -57.46 5.3 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 123.906 0.754 . . . . 74.140000000000001 111.459 -175.319 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -57.39 -41.61 80.59 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.148 0.979 . . . . 71.109999999999999 111.673 -171.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.536 ' HB2' ' NH2' ' A' ' 42' ' ' ARG . . . -77.29 -31.48 54.83 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.415 -0.812 . . . . 61.350000000000001 111.65 -178.261 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.653 ' HG2' HG21 ' A' ' 75' ' ' ILE . 6.8 tmtt? -63.4 -37.3 86.77 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.327 0.651 . . . . 73.040000000000006 109.506 -179.617 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -60.29 -38.57 84.03 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.81 0.844 . . . . 75.519999999999996 110.665 176.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.444 ' HE2' ' HA ' ' A' ' 87' ' ' ALA . 34.7 mtm -70.88 -35.64 72.43 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 115.258 -0.883 . . . . 62.530000000000001 110.758 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.62 -33.33 75.37 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.549 0.74 . . . . 74.120000000000005 110.696 176.459 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -63.25 -47.35 82.82 Favored 'General case' 0 C--N 1.358 0.947 0 O-C-N 123.844 0.715 . . . . 72.349999999999994 109.674 174.182 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 18.7 mmtp -60.7 -48.11 83.24 Favored 'General case' 0 N--CA 1.481 1.095 0 O-C-N 123.992 0.807 . . . . 55.530000000000001 111.995 -177.592 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.04 -34.11 75.64 Favored 'General case' 0 CA--C 1.55 0.969 0 O-C-N 124.063 0.852 . . . . 52.409999999999997 111.628 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -68.65 -41.97 78.59 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 124.696 1.198 . . . . 73.430000000000007 109.547 176.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -69.69 -32.54 71.21 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 124.186 0.995 . . . . 73.340000000000003 111.872 -178.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 53.3 m0 -66.54 -41.91 87.98 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 123.863 0.727 . . . . 74.25 109.494 176.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 50.3 tp -60.32 -41.71 94.09 Favored 'General case' 0 CA--C 1.55 0.966 0 O-C-N 124.156 0.91 . . . . 75.239999999999995 110.835 175.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -62.46 -44.97 95.12 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.644 0.778 . . . . 74.25 111.061 176.594 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.48 -31.05 70.94 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.027 0.931 . . . . 62.25 111.513 -175.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -74.67 -41.86 59.52 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.494 0.717 . . . . 74.200000000000003 110.855 176.447 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -80.71 81.11 7.04 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.565 -0.743 . . . . 63.420000000000002 110.539 179.528 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 31.1 m-80 -87.28 99.95 12.34 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 108.252 -1.018 . . . . 73.450000000000003 108.252 176.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 . . . . . 0 CA--C 1.56 1.348 0 C-N-CA 125.112 1.365 . . . . 72.109999999999999 111.43 -178.869 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.532 0 CA-C-O 120.597 0.237 . . . . 73.25 111.19 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -74.41 89.42 2.12 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 109.221 -0.659 . . . . 72.510000000000005 109.221 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -92.83 -66.43 0.92 Allowed 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.982 0.913 . . . . 53.109999999999999 110.077 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -60.52 -42.14 95.84 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 115.009 -0.996 . . . . 72.409999999999997 109.681 -179.277 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.624 HG23 HG23 ' A' ' 31' ' ' ILE . 83.9 mt -59.24 -50.98 77.86 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 C-N-CA 125.313 1.445 . . . . 73.329999999999998 111.485 177.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.68 -30.46 71.56 Favored 'General case' 0 N--CA 1.48 1.026 0 O-C-N 123.4 0.437 . . . . 72.519999999999996 111.822 178.451 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -69.24 -37.53 78.01 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.028 0.931 . . . . 63.329999999999998 110.085 177.33 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -77.41 -25.43 50.78 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 122.914 0.485 . . . . 73.5 111.414 177.295 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -71.37 -36.52 71.47 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 109.982 -0.377 . . . . 74.310000000000002 109.982 171.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -72.59 -27.37 62.14 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.076 0.55 . . . . 65.109999999999999 109.537 176.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.85 -34.83 64.67 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 122.993 0.517 . . . . 72.109999999999999 110.705 173.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.595 ' CE2' ' HG ' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -80.38 110.94 16.31 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.686 0.794 . . . . 72.129999999999995 109.227 179.404 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.4 ttpm? -87.7 141.12 28.85 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 108.598 -0.89 . . . . 73.349999999999994 108.598 168.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -42.47 119.16 1.34 Allowed 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 125.285 1.434 . . . . 43.350000000000001 112.455 -176.277 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -172.21 90.76 0.11 Allowed 'General case' 0 C--N 1.354 0.773 0 C-N-CA 123.416 0.686 . . . . 70.439999999999998 111.281 178.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -112.65 13.57 19.94 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.286 1.034 . . . . 71.319999999999993 109.49 168.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -146.9 174.25 11.67 Favored 'General case' 0 C--O 1.247 0.953 0 C-N-CA 124.808 1.243 . . . . 73.439999999999998 108.414 -172.542 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 65.8 mt 75.26 144.16 0.08 Allowed 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 125.447 1.499 . . . . 70.109999999999999 110.056 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -75.51 80.17 2.53 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-O 121.757 0.789 . . . . 54.140000000000001 109.541 178.354 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -153.03 158.78 42.49 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 114.72 -1.127 . . . . 74.239999999999995 109.417 -175.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.579 ' HA2' ' SD ' ' A' ' 24' ' ' MET . . . -163.37 -177.27 36.14 Favored Glycine 0 C--O 1.246 0.886 0 CA-C-N 115.451 -0.795 . . . . 71.040000000000006 112.127 -178.656 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 73.13 -55.41 0.68 Allowed 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 125.026 1.33 . . . . 73.430000000000007 112.35 -178.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.7 mt -54.76 -36.2 64.6 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 124.287 1.035 . . . . 71.120000000000005 110.301 172.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.579 ' SD ' ' HA2' ' A' ' 21' ' ' GLY . 1.6 pmm? -120.35 172.02 8.1 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 114.338 -1.301 . . . . 71.019999999999996 109.116 175.172 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.8 -58.3 4.98 Favored Glycine 0 C--N 1.341 0.822 0 CA-C-N 116.258 -0.428 . . . . 52.439999999999998 112.591 -177.185 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 48.1 ttt85 -61.94 -30.13 70.7 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.873 0.869 . . . . 74.129999999999995 111.951 -174.102 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.43 -33.74 65.08 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 122.744 0.418 . . . . 50.329999999999998 110.86 178.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.595 ' HG ' ' CE2' ' A' ' 12' ' ' TYR . 69.7 mt -65.19 -42.05 93.99 Favored 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 109.754 -0.462 . . . . 74.430000000000007 109.754 172.217 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.425 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 58.8 t80 -55.52 -43.65 75.9 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.633 0.773 . . . . 65.430000000000007 109.929 174.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.43 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 91.7 m-20 -65.03 -42.13 94.62 Favored 'General case' 0 C--N 1.347 0.488 0 CA-C-N 115.741 -0.663 . . . . 74.120000000000005 111.393 178.693 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.624 HG23 HG23 ' A' ' 5' ' ' ILE . 96.6 mt -59.61 -41.54 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 O-C-N 123.727 0.642 . . . . 63.0 109.999 175.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.85 -41.37 99.88 Favored Glycine 0 C--N 1.344 1.027 0 O-C-N 124.188 0.93 . . . . 73.209999999999994 112.48 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 29' ' ' TYR . 88.0 mt -59.06 -39.21 81.37 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.151 0.58 . . . . 72.439999999999998 110.346 178.014 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.43 ' HG2' ' O ' ' A' ' 30' ' ' ASN . 22.6 mm-40 -77.28 -38.72 50.26 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 123.802 0.689 . . . . 74.109999999999999 111.228 -178.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.415 ' HE2' HD13 ' A' ' 5' ' ' ILE . 71.6 mmtt -57.88 -44.03 86.42 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.214 0.606 . . . . 71.239999999999995 109.717 176.286 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -61.8 -30.32 70.74 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-N 114.97 -1.014 . . . . 73.219999999999999 110.664 -178.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.424 ' HG2' ' O ' ' A' ' 33' ' ' LEU . 46.1 mmtm -76.3 -33.73 59.07 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.243 0.617 . . . . 71.409999999999997 110.393 178.025 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 89.7 mtp -75.84 -6.8 52.48 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.673 0.789 . . . . 72.319999999999993 111.634 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 96.95 -5.53 63.7 Favored Glycine 0 C--N 1.353 1.514 0 C-N-CA 123.222 0.439 . . . . 73.140000000000001 112.043 -177.319 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 47.6 mttm -87.39 62.63 7.28 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.66 1.184 . . . . 62.049999999999997 110.604 -177.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.89 -21.62 60.88 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 122.881 0.472 . . . . 53.439999999999998 111.773 -177.674 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.632 ' HG3' ' HA3' ' A' ' 83' ' ' GLY . 5.7 tmm_? -72.66 -48.39 39.58 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.536 0.735 . . . . 74.439999999999998 109.888 176.188 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -61.22 -42.33 98.42 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 109.409 -0.589 . . . . 74.319999999999993 109.409 174.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.89 -47.83 70.71 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 124.417 1.073 . . . . 61.409999999999997 110.678 177.127 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.21 -38.71 77.3 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 124.459 1.1 . . . . 72.239999999999995 111.439 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.482 ' HB3' ' NH1' ' A' ' 50' ' ' ARG . 62.8 mt-10 -68.63 -37.18 79.52 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.252 0.621 . . . . 74.349999999999994 111.615 178.364 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.497 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 51.6 m-85 -74.29 -31.67 62.6 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.244 0.618 . . . . 75.519999999999996 111.478 179.506 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -71.15 -34.59 71.13 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 123.619 0.574 . . . . 74.209999999999994 109.968 174.054 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.453 ' O ' HG13 ' A' ' 53' ' ' ILE . 60.7 t80 -68.94 -52.49 28.62 Favored 'General case' 0 C--N 1.347 0.459 0 CA-C-N 116.055 -0.521 . . . . 74.200000000000003 110.644 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.482 ' NH1' ' HB3' ' A' ' 46' ' ' GLU . 64.7 mtt85 -67.19 -30.03 69.86 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.71 0.804 . . . . 54.030000000000001 111.353 -177.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.04 -51.22 67.56 Favored 'General case' 0 C--O 1.238 0.457 0 O-C-N 123.68 0.613 . . . . 13.539999999999999 109.553 169.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.415 ' HB1' HD12 ' A' ' 64' ' ' LEU . . . -59.76 -33.39 71.61 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 114.878 -1.055 . . . . 75.329999999999998 112.062 -176.696 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.466 HD12 ' HA ' ' A' ' 50' ' ' ARG . 90.6 mt -57.95 -49.45 81.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 123.694 0.798 . . . . 73.209999999999994 110.439 176.558 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 82.4 t -60.92 -47.09 95.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 123.194 0.598 . . . . 75.540000000000006 110.944 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -65.03 -29.06 69.94 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 115.877 -0.601 . . . . 74.209999999999994 111.723 -179.382 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -74.56 -46.02 41.59 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.233 0.613 . . . . 73.010000000000005 110.618 178.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -55.41 -44.2 75.99 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.486 0.715 . . . . 72.430000000000007 111.053 172.539 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -78.48 -13.84 59.65 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 115.249 -0.887 . . . . 54.130000000000003 110.722 -179.238 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 61.53 28.2 17.53 Favored 'General case' 0 C--N 1.354 0.786 0 C-N-CA 124.791 1.237 . . . . 75.409999999999997 112.064 -178.314 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -81.2 88.63 6.02 Favored 'General case' 0 C--O 1.24 0.562 0 N-CA-C 108.059 -1.089 . . . . 72.430000000000007 108.059 170.482 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 23.5 m -57.93 -28.58 64.41 Favored 'General case' 0 CA--C 1.55 0.98 0 CA-C-N 114.354 -1.294 . . . . 62.439999999999998 111.969 -178.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -64.65 -58.41 6.39 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.097 0.959 . . . . 65.439999999999998 111.483 -178.135 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -71.22 -31.4 66.32 Favored Glycine 0 C--N 1.342 0.903 0 CA-C-N 115.636 -0.711 . . . . 64.430000000000007 112.508 -178.547 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.415 HD12 ' HB1' ' A' ' 52' ' ' ALA . 62.1 tp -60.36 -42.47 95.82 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.159 0.584 . . . . 72.230000000000004 109.62 172.629 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -68.8 -38.38 79.9 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 124.038 0.836 . . . . 54.340000000000003 110.342 -179.119 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 26.9 mmt180 -61.25 -46.93 88.34 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 123.667 0.604 . . . . 74.439999999999998 110.681 176.038 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -73.28 -32.95 64.97 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.558 0.743 . . . . 65.239999999999995 111.295 -178.039 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.88 -45.19 62.14 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.538 0.735 . . . . 71.019999999999996 110.602 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -64.48 -41.65 96.36 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 124.506 1.129 . . . . 71.5 110.153 -179.334 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 65.7 m -68.1 -33.79 75.18 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 115.745 -0.661 . . . . 51.450000000000003 111.475 177.299 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.25 -54.35 21.75 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.316 0.646 . . . . 62.130000000000003 110.492 -177.563 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -65.42 -32.25 73.78 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 115.328 -0.851 . . . . 74.420000000000002 112.138 -174.115 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -87.98 -15.69 35.77 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 122.735 0.414 . . . . 73.540000000000006 110.849 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.405 ' O ' HG13 ' A' ' 78' ' ' ILE . . . -73.75 -25.51 60.2 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 122.684 0.394 . . . . 70.120000000000005 110.853 175.018 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.579 HG21 ' HD3' ' A' ' 88' ' ' LYS . 37.9 mm -60.25 -42.62 91.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 O-C-N 124.111 0.882 . . . . 72.510000000000005 111.492 -175.159 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 39.7 p -70.87 -20.46 62.52 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 122.995 0.518 . . . . 54.43 111.864 -178.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.67 -14.01 33.09 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.553 0.741 . . . . 75.329999999999998 111.57 177.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.474 HG23 ' HB2' ' A' ' 42' ' ' ARG . 58.3 mt -61.73 133.52 93.61 Favored Pre-proline 0 N--CA 1.48 1.052 0 C-N-CA 123.337 0.655 . . . . 71.219999999999999 110.159 178.72 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -53.44 160.32 5.19 Favored 'Trans proline' 0 C--N 1.374 1.9 0 C-N-CA 123.049 2.499 . . . . 72.030000000000001 113.12 171.455 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -75.56 64.59 1.66 Allowed 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.582 0.753 . . . . 64.200000000000003 110.936 -179.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -129.63 -177.7 4.38 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.358 0.663 . . . . 74.219999999999999 110.368 -172.102 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -57.0 -32.07 65.73 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.106 1.363 . . . . 74.030000000000001 111.797 -178.581 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.632 ' HA3' ' HG3' ' A' ' 42' ' ' ARG . . . -68.65 -14.57 67.5 Favored Glycine 0 C--N 1.341 0.839 0 CA-C-N 115.026 -0.988 . . . . 75.040000000000006 114.528 -176.479 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 13.3 mmt180 -57.91 -52.02 67.24 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.129 0.572 . . . . 64.400000000000006 111.147 176.183 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.27 -54.45 24.73 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.771 0.828 . . . . 74.299999999999997 110.594 -171.585 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -65.62 -42.29 91.71 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 123.58 0.752 . . . . 71.209999999999994 111.864 -175.213 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.09 -31.07 67.34 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 122.438 0.295 . . . . 74.349999999999994 111.724 -178.018 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.579 ' HD3' HG21 ' A' ' 75' ' ' ILE . 55.8 tptt -58.11 -41.61 83.93 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 123.921 0.763 . . . . 63.310000000000002 110.218 175.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -69.71 -30.24 67.82 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 115.505 -0.77 . . . . 73.109999999999999 111.55 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 43.3 mtm -69.5 -39.16 77.76 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 122.779 0.432 . . . . 74.150000000000006 110.6 175.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.34 -38.5 84.0 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 115.572 -0.74 . . . . 64.510000000000005 110.312 175.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.467 ' HG3' ' O ' ' A' ' 88' ' ' LYS . 91.5 mttt -60.62 -45.96 92.06 Favored 'General case' 0 C--N 1.351 0.666 0 O-C-N 124.203 0.939 . . . . 74.239999999999995 110.332 176.126 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 18.6 mmtm -61.26 -40.76 95.29 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.43 0.692 . . . . 45.439999999999998 111.629 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.53 -39.17 90.09 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 123.991 0.807 . . . . 74.430000000000007 110.856 179.028 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -69.88 -40.17 75.87 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.599 0.759 . . . . 41.439999999999998 110.863 177.032 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.433 ' HG3' ' O ' ' A' ' 92' ' ' LYS . 47.5 mt-10 -62.71 -40.65 97.84 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.603 0.761 . . . . 73.420000000000002 110.703 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 51.6 m0 -66.03 -42.58 89.41 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.081 -0.963 . . . . 64.209999999999994 110.482 176.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 34.0 tp -62.85 -38.18 89.8 Favored 'General case' 0 CA--C 1.546 0.816 0 O-C-N 123.889 0.743 . . . . 60.43 110.769 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -73.48 -31.78 63.95 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.145 0.578 . . . . 62.399999999999999 110.84 177.325 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.29 -41.89 80.31 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.249 0.62 . . . . 63.420000000000002 110.921 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -69.6 -53.35 19.23 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.636 -0.711 . . . . 70.109999999999999 110.3 177.533 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -79.66 9.48 5.02 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 115.314 -0.857 . . . . 74.230000000000004 111.93 -176.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -64.86 -47.34 78.24 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 122.767 0.427 . . . . 61.0 109.875 175.099 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 3.8 t30 . . . . . 0 C--O 1.248 1.013 0 N-CA-C 108.058 -1.09 . . . . 73.209999999999994 108.058 173.524 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.8 0 N-CA-C 108.351 -0.981 . . . . 75.209999999999994 108.351 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -128.39 103.03 6.91 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 114.602 -1.181 . . . . 73.540000000000006 110.906 -165.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -113.63 -64.57 1.29 Allowed 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.217 1.007 . . . . 74.409999999999997 108.535 173.43 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -72.74 -23.94 60.9 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 124.263 1.025 . . . . 65.530000000000001 110.481 -179.638 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.44 HG12 ' HB3' ' A' ' 34' ' ' GLU . 34.8 mt -65.01 -39.91 87.26 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 124.316 1.047 . . . . 54.329999999999998 110.435 176.411 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.27 -26.09 66.2 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.856 0.862 . . . . 74.109999999999999 112.122 -178.027 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -69.43 -42.98 74.28 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.128 0.571 . . . . 63.509999999999998 110.435 176.232 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -65.59 -39.11 91.23 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 123.637 0.775 . . . . 75.030000000000001 110.076 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -67.2 -40.25 86.43 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 114.258 -1.337 . . . . 64.230000000000004 110.738 178.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -70.72 -32.01 69.05 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 123.399 0.68 . . . . 75.340000000000003 111.149 178.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.55 -24.84 67.74 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.587 0.755 . . . . 63.210000000000001 112.82 -174.5 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.515 ' CE2' ' HG ' ' A' ' 28' ' ' LEU . 8.8 t80 -72.07 126.69 30.4 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 110.037 -0.357 . . . . 73.129999999999995 110.037 -177.11 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -112.96 -156.36 0.59 Allowed 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 125.01 1.324 . . . . 72.530000000000001 110.036 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.555 ' HB2' ' HB3' ' A' ' 17' ' ' GLU . 16.2 ptpt -78.35 83.18 4.59 Favored 'General case' 0 CA--C 1.558 1.285 0 CA-C-O 121.857 0.837 . . . . 54.450000000000003 112.019 -177.792 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.81 -7.76 45.5 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-N 115.383 -0.826 . . . . 33.219999999999999 111.822 178.09 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.45 -33.37 5.28 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.921 0.889 . . . . 74.409999999999997 109.519 -176.015 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.555 ' HB3' ' HB2' ' A' ' 14' ' ' LYS . 37.7 tt0 -74.28 -35.93 63.77 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.745 0.818 . . . . 73.310000000000002 110.38 177.611 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 73.1 mt -124.66 145.46 49.64 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.201 1.001 . . . . 74.319999999999993 109.386 175.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -77.49 87.0 3.83 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 108.977 -0.749 . . . . 74.319999999999993 108.977 174.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -159.8 29.68 0.18 Allowed 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.128 0.971 . . . . 73.310000000000002 109.401 178.12 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -73.93 -0.79 57.33 Favored Glycine 0 C--N 1.35 1.306 0 CA-C-N 115.299 -0.864 . . . . 64.230000000000004 114.215 -174.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -67.77 -31.44 71.34 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.556 0.742 . . . . 73.019999999999996 109.817 170.573 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.5 mt -72.76 -17.82 61.56 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 124.009 0.924 . . . . 60.210000000000001 110.296 177.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 12.7 mtm -127.74 -153.97 0.6 Allowed 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.424 1.49 . . . . 73.209999999999994 108.947 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.83 -58.63 4.91 Favored Glycine 0 C--N 1.352 1.421 0 N-CA-C 111.668 -0.573 . . . . 65.400000000000006 111.668 -179.539 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -55.85 -32.17 63.4 Favored 'General case' 0 C--N 1.348 0.543 0 C-N-CA 124.758 1.223 . . . . 74.239999999999995 110.035 168.47 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.477 ' O ' HG13 ' A' ' 31' ' ' ILE . . . -60.82 -53.37 58.12 Favored 'General case' 0 C--N 1.355 0.81 0 O-C-N 123.726 0.641 . . . . 74.109999999999999 110.774 175.36 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.564 ' HA ' HD12 ' A' ' 31' ' ' ILE . 19.5 mt -59.28 -40.0 84.74 Favored 'General case' 0 N--CA 1.495 1.804 0 C-N-CA 122.811 0.444 . . . . 73.209999999999994 111.433 177.816 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -62.73 -42.45 99.67 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.792 0.837 . . . . 72.230000000000004 110.654 178.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.476 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 5.0 t-20 -68.84 -38.28 79.72 Favored 'General case' 0 C--N 1.35 0.624 0 C-N-CA 123.827 0.851 . . . . 62.32 109.495 -175.183 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.564 HD12 ' HA ' ' A' ' 28' ' ' LEU . 32.7 mt -62.02 -41.99 93.16 Favored 'Isoleucine or valine' 0 C--N 1.357 0.893 0 O-C-N 124.177 0.923 . . . . 44.030000000000001 109.832 173.696 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.26 -37.91 92.52 Favored Glycine 0 C--N 1.354 1.529 0 O-C-N 123.863 0.727 . . . . 45.539999999999999 112.623 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 62.4 mt -63.46 -36.46 83.84 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.723 0.809 . . . . 71.239999999999995 110.203 175.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.476 ' HG2' ' O ' ' A' ' 30' ' ' ASN . 44.9 mm-40 -77.52 -30.59 52.97 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.349 1.06 . . . . 64.400000000000006 111.988 -179.092 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.416 ' HG2' ' O ' ' A' ' 31' ' ' ILE . 75.8 mmtt -67.99 -48.49 65.62 Favored 'General case' 0 C--N 1.345 0.406 0 N-CA-C 107.958 -1.127 . . . . 61.109999999999999 107.958 174.204 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 35.9 t-20 -60.7 -33.82 73.45 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 124.227 1.011 . . . . 62.009999999999998 110.226 178.188 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.9 ttmp? -59.13 -43.24 91.96 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.588 0.755 . . . . 64.109999999999999 110.339 175.156 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.409 ' HB2' ' HG2' ' A' ' 40' ' ' LYS . 73.2 mtm -80.04 -9.82 59.72 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 115.612 -0.722 . . . . 75.209999999999994 112.01 -178.426 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 90.49 8.39 66.01 Favored Glycine 0 C--N 1.342 0.889 0 N-CA-C 112.652 -0.179 . . . . 71.510000000000005 112.652 -175.525 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.409 ' HG2' ' HB2' ' A' ' 38' ' ' MET . 69.2 mmtt -81.31 80.29 7.75 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.826 0.85 . . . . 61.420000000000002 108.793 175.642 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.499 ' HB1' ' O ' ' A' ' 74' ' ' ALA . . . -78.48 -34.2 47.74 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.562 -0.745 . . . . 43.450000000000003 111.888 -173.073 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -65.45 -48.74 71.65 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.472 0.709 . . . . 74.299999999999997 109.612 176.083 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.43 ' O ' ' HD2' ' A' ' 47' ' ' TYR . 44.3 mt-10 -61.04 -46.85 89.03 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 124.037 0.835 . . . . 71.439999999999998 109.731 176.775 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.25 -49.83 66.07 Favored 'General case' 0 C--N 1.358 0.977 0 O-C-N 124.127 0.892 . . . . 21.440000000000001 110.666 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.91 -43.94 81.87 Favored 'General case' 0 CA--C 1.55 0.952 0 O-C-N 124.483 1.114 . . . . 45.240000000000002 112.023 -178.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -72.03 -38.7 69.51 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.104 0.562 . . . . 64.340000000000003 111.813 -178.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.43 ' HD2' ' O ' ' A' ' 43' ' ' GLU . 41.3 m-85 -67.75 -30.39 69.85 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.533 0.733 . . . . 65.310000000000002 110.469 177.023 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -75.33 -35.5 61.2 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.487 0.715 . . . . 72.219999999999999 110.972 174.33 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -70.08 -52.8 20.94 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 123.579 0.549 . . . . 73.239999999999995 110.55 -177.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.505 ' O ' HG23 ' A' ' 54' ' ' VAL . 61.6 mtp180 -61.09 -37.24 82.01 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 115.279 -0.873 . . . . 74.409999999999997 110.583 178.465 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.11 -47.13 87.17 Favored 'General case' 0 C--N 1.355 0.841 0 O-C-N 123.763 0.664 . . . . 64.010000000000005 110.312 173.044 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.08 -31.76 73.08 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.735 0.814 . . . . 33.200000000000003 111.621 -178.375 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 95.4 mt -62.7 -47.17 94.18 Favored 'Isoleucine or valine' 0 C--N 1.358 0.955 0 C-N-CA 123.435 0.694 . . . . 53.439999999999998 109.872 174.237 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 50' ' ' ARG . 47.8 t -68.89 -41.27 81.98 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.852 0 C-N-CA 123.506 0.722 . . . . 62.140000000000001 110.761 -177.534 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -62.07 -38.16 87.76 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.672 0.789 . . . . 72.420000000000002 110.353 176.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.445 ' CD1' ' HB3' ' A' ' 97' ' ' TRP . 50.0 t80 -69.58 -44.88 69.92 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.055 0.542 . . . . 73.329999999999998 111.235 179.565 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -54.54 -44.52 72.91 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 124.103 0.961 . . . . 75.540000000000006 111.865 174.097 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -83.84 -10.63 57.9 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 115.99 -0.55 . . . . 74.329999999999998 111.157 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 65.1 m-70 60.68 30.51 19.76 Favored 'General case' 0 C--N 1.355 0.81 0 C-N-CA 124.903 1.281 . . . . 71.219999999999999 111.705 -177.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -80.44 90.64 5.65 Favored 'General case' 0 C--O 1.244 0.8 0 N-CA-C 107.341 -1.355 . . . . 63.530000000000001 107.341 171.243 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 18.2 m -69.52 -26.12 64.37 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 114.597 -1.183 . . . . 61.43 111.761 -171.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -63.41 -52.11 62.95 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.298 0.639 . . . . 70.319999999999993 110.737 -177.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -67.7 -40.53 90.13 Favored Glycine 0 C--N 1.348 1.203 0 CA-C-N 115.052 -0.976 . . . . 64.420000000000002 112.179 178.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 62.2 tp -60.22 -36.92 78.79 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.615 1.166 . . . . 61.509999999999998 111.08 177.219 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 28.4 ttp180 -65.58 -51.2 61.54 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.634 1.174 . . . . 72.310000000000002 110.81 -179.321 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 48.0 ttt-85 -73.72 -30.43 62.84 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 114.75 -1.114 . . . . 71.319999999999993 110.063 -175.45 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.472 ' O ' ' HB2' ' A' ' 71' ' ' LEU . . . -69.95 -35.19 74.3 Favored 'General case' 0 C--N 1.353 0.746 0 C-N-CA 123.473 0.709 . . . . 70.25 111.107 177.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.1 -41.12 96.09 Favored 'General case' 0 N--CA 1.478 0.96 0 O-C-N 123.84 0.712 . . . . 72.420000000000002 111.402 178.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -75.85 -50.94 13.68 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 115.547 -0.752 . . . . 71.239999999999995 111.044 178.513 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 55.2 m -59.69 -30.05 68.51 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.238 0.615 . . . . 74.25 111.783 -176.67 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.472 ' HB2' ' O ' ' A' ' 67' ' ' ALA . 0.6 OUTLIER -60.83 -55.5 32.34 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 123.873 0.869 . . . . 75.430000000000007 109.543 178.182 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.617 ' HA ' HD12 ' A' ' 75' ' ' ILE . 18.6 ptpt -68.69 -29.61 68.1 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 112.289 0.477 . . . . 62.439999999999998 112.289 -175.574 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -70.3 -35.16 73.5 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.861 0.464 . . . . 64.230000000000004 110.608 177.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.499 ' O ' ' HB1' ' A' ' 41' ' ' ALA . . . -67.69 -38.31 83.52 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 116.13 -0.486 . . . . 63.109999999999999 110.334 172.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.869 HD13 ' HA ' ' A' ' 88' ' ' LYS . 64.6 mt -65.35 -41.4 91.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 123.562 0.745 . . . . 72.319999999999993 112.548 -177.681 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 73.1 p -62.48 -24.89 67.71 Favored 'General case' 0 CA--C 1.551 1.003 0 O-C-N 123.381 0.426 . . . . 75.219999999999999 110.836 176.586 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -89.81 -16.83 29.33 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.973 0.909 . . . . 75.230000000000004 112.394 178.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.427 HG21 ' HA3' ' A' ' 83' ' ' GLY . 69.3 mt -64.12 124.96 87.08 Favored Pre-proline 0 N--CA 1.491 1.606 0 N-CA-C 109.155 -0.683 . . . . 65.319999999999993 109.155 176.15 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -60.58 152.96 64.78 Favored 'Trans proline' 0 C--N 1.375 1.931 0 C-N-CA 122.561 2.174 . . . . 51.43 111.228 171.215 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.54 ' HA ' ' HG3' ' A' ' 84' ' ' ARG . 46.0 mt-10 -66.29 78.24 0.1 Allowed 'General case' 0 N--CA 1.482 1.156 0 CA-C-O 122.023 0.916 . . . . 74.439999999999998 111.501 -177.777 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -149.12 -151.75 0.41 Allowed 'General case' 0 C--O 1.252 1.237 0 C-N-CA 125.727 1.611 . . . . 75.120000000000005 107.157 -175.293 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.6 mp0 -59.43 104.17 0.25 Allowed 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.14 0.976 . . . . 71.430000000000007 108.898 170.493 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.427 ' HA3' HG21 ' A' ' 78' ' ' ILE . . . 143.36 -32.37 1.87 Allowed Glycine 0 C--N 1.339 0.738 0 N-CA-C 112.073 -0.411 . . . . 71.219999999999999 112.073 -179.549 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.54 ' HG3' ' HA ' ' A' ' 80' ' ' GLU . 9.0 mmm180 -88.33 134.62 33.77 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 107.286 -1.376 . . . . 51.100000000000001 107.286 172.684 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 24.4 tptp 55.47 42.76 29.54 Favored 'General case' 0 N--CA 1.486 1.347 0 CA-C-O 122.725 1.25 . . . . 64.209999999999994 110.039 -170.28 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -157.85 -66.04 0.09 Allowed 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 114.484 -1.235 . . . . 72.400000000000006 108.866 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -77.1 -25.84 52.68 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.561 0.745 . . . . 54.020000000000003 111.829 177.518 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.869 ' HA ' HD13 ' A' ' 75' ' ' ILE . 85.5 tttt -59.86 -41.57 91.78 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-O 121.797 0.808 . . . . 60.420000000000002 112.436 -172.298 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -73.66 -24.36 59.97 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 114.366 -1.288 . . . . 71.200000000000003 110.966 -178.196 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 28.3 mtm -61.37 -34.78 75.88 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 122.834 0.453 . . . . 64.019999999999996 111.302 172.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.444 ' HA ' HD13 ' A' ' 71' ' ' LEU . . . -60.94 -43.53 98.54 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.147 0.579 . . . . 23.32 110.303 175.154 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.528 ' O ' ' HG2' ' A' ' 96' ' ' GLU . 39.3 ttmt -58.19 -43.35 87.49 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 124.538 1.149 . . . . 55.109999999999999 110.366 176.374 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -58.8 -45.23 90.35 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.975 0.91 . . . . 75.430000000000007 112.008 178.312 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.79 -33.0 74.29 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.35 0.66 . . . . 65.200000000000003 110.784 178.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 40.7 mt-10 -74.66 -34.02 62.63 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.731 0.812 . . . . 72.340000000000003 111.538 175.615 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.528 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 10.4 mm-40 -58.95 -46.74 87.28 Favored 'General case' 0 N--CA 1.488 1.437 0 CA-C-O 121.761 0.791 . . . . 72.400000000000006 109.903 178.597 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' TRP . . . . . 0.445 ' HB3' ' CD1' ' A' ' 56' ' ' TYR . 22.9 m0 -68.66 -37.66 79.81 Favored 'General case' 0 C--N 1.34 0.189 0 CA-C-N 113.719 -1.582 . . . . 53.109999999999999 110.343 179.576 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 35.1 tp -63.01 -36.43 83.54 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 115.767 -0.651 . . . . 72.040000000000006 111.019 177.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.401 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 83.9 mm-40 -74.7 -30.62 61.61 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.148 0.579 . . . . 74.129999999999995 110.971 177.323 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.31 -34.35 78.13 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 123.649 0.593 . . . . 74.120000000000005 110.49 175.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -78.68 -43.78 25.21 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.626 0.77 . . . . 75.040000000000006 110.747 176.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -88.76 28.48 1.14 Allowed 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.796 0.839 . . . . 75.109999999999999 111.599 -179.027 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -69.46 97.28 0.98 Allowed 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 123.331 0.652 . . . . 61.5 109.631 176.354 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 7.6 t30 . . . . . 0 C--O 1.251 1.172 0 N-CA-C 108.318 -0.993 . . . . 73.319999999999993 108.318 -176.552 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.846 0 N-CA-C 111.399 0.148 . . . . 63.100000000000001 111.399 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -74.48 0.48 14.56 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 113.875 1.065 . . . . 42.539999999999999 113.875 -169.639 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -64.45 -24.5 67.64 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 122.81 0.444 . . . . 54.409999999999997 111.496 174.55 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -63.97 -33.91 76.79 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 122.845 0.458 . . . . 60.439999999999998 111.149 175.263 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.522 HG23 HG23 ' A' ' 31' ' ' ILE . 70.2 mt -66.02 -47.45 85.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 124.072 0.949 . . . . 64.239999999999995 109.594 176.409 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.62 -37.86 68.73 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 124.156 0.91 . . . . 65.5 111.256 178.555 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -60.59 -45.09 95.27 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 124.279 1.032 . . . . 73.439999999999998 111.153 176.215 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -65.13 -34.34 78.16 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 122.838 0.455 . . . . 72.140000000000001 111.118 178.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -72.39 -31.24 65.38 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.739 0.816 . . . . 62.140000000000001 111.565 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -74.99 -39.42 61.26 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 124.003 0.921 . . . . 63.420000000000002 110.154 174.204 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.8 -30.9 71.92 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.241 1.016 . . . . 74.530000000000001 110.551 177.426 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.642 ' HA ' ' HG2' ' A' ' 24' ' ' MET . 0.7 OUTLIER -86.72 108.78 18.82 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 108.545 -0.909 . . . . 65.349999999999994 108.545 173.249 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -99.64 -59.13 1.78 Allowed 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 122.883 0.473 . . . . 74.530000000000001 111.084 -179.034 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 60.0 tptt -166.97 88.11 0.31 Allowed 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 122.765 0.426 . . . . 70.450000000000003 109.916 -172.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -119.22 120.39 36.9 Favored 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 109.857 -0.424 . . . . 60.509999999999998 109.857 173.097 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -145.62 -152.29 0.42 Allowed 'General case' 0 C--O 1.243 0.722 0 N-CA-C 106.987 -1.486 . . . . 70.150000000000006 106.987 177.501 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.42 ' HG2' ' HG2' ' A' ' 57' ' ' LYS . 30.4 mt-10 -81.75 67.39 7.71 Favored 'General case' 0 CA--C 1.551 1.012 0 CA-C-O 121.444 0.64 . . . . 75.019999999999996 111.184 -177.709 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.42 ' HB2' ' HG2' ' A' ' 20' ' ' GLN . 3.0 mm? -120.89 -166.99 1.41 Allowed 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.456 1.103 . . . . 72.409999999999997 108.091 173.627 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 48.9 m-80 -89.24 28.09 1.29 Allowed 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 122.69 0.396 . . . . 72.450000000000003 110.851 173.611 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.42 ' HG2' ' HB2' ' A' ' 18' ' ' LEU . 29.9 pt20 -132.21 155.01 49.01 Favored 'General case' 0 C--O 1.241 0.646 0 C-N-CA 124.792 1.237 . . . . 75.120000000000005 108.971 177.04 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.417 ' HA3' ' HG3' ' A' ' 58' ' ' GLU . . . 164.89 -25.03 0.18 Allowed Glycine 0 C--N 1.337 0.598 0 CA-C-N 115.941 -0.572 . . . . 60.229999999999997 112.46 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -69.83 -30.31 67.78 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.687 0.795 . . . . 74.420000000000002 111.345 176.615 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 83.0 mt -65.88 -37.35 85.92 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.607 0.763 . . . . 74.329999999999998 110.601 178.042 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.642 ' HG2' ' HA ' ' A' ' 12' ' ' TYR . 21.6 mtm -126.32 -146.63 0.34 Allowed 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.401 1.08 . . . . 61.030000000000001 108.598 -173.816 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.67 -68.14 3.42 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 118.718 0.69 . . . . 55.32 111.749 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -60.75 -23.08 64.68 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.543 1.137 . . . . 71.319999999999993 111.942 178.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.413 ' HB3' ' HD2' ' A' ' 12' ' ' TYR . . . -58.9 -45.91 89.15 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.099 0.56 . . . . 53.130000000000003 111.495 175.602 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.514 ' HA ' HD12 ' A' ' 31' ' ' ILE . 46.4 mt -62.65 -37.89 88.13 Favored 'General case' 0 N--CA 1.483 1.219 0 O-C-N 123.39 0.431 . . . . 74.329999999999998 111.113 174.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -57.16 -45.18 83.86 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 123.728 0.642 . . . . 74.230000000000004 111.091 -179.553 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -66.81 -34.73 78.45 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 122.935 0.494 . . . . 65.129999999999995 111.465 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.522 HG23 HG23 ' A' ' 5' ' ' ILE . 75.3 mt -64.76 -37.37 79.98 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 C-N-CA 123.544 0.738 . . . . 75.329999999999998 109.979 176.136 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -65.99 -41.66 95.14 Favored Glycine 0 C--N 1.352 1.419 0 CA-C-N 115.267 -0.879 . . . . 74.099999999999994 112.584 178.292 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.9 mt -58.71 -35.83 73.28 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.364 0.666 . . . . 71.219999999999999 110.761 177.309 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.508 ' HA ' ' HE2' ' A' ' 37' ' ' LYS . 51.4 mm-40 -68.82 -46.19 69.26 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 115.362 -0.836 . . . . 74.319999999999993 111.304 177.769 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm -61.89 -34.2 75.6 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.284 0.634 . . . . 74.200000000000003 111.697 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -67.07 -41.96 85.5 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.977 0.911 . . . . 72.409999999999997 110.308 -176.286 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.508 ' HE2' ' HA ' ' A' ' 34' ' ' GLU . 51.8 mtmt -62.73 -41.82 99.37 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 123.168 0.587 . . . . 71.430000000000007 110.649 176.212 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 73.2 mtm -80.06 1.87 26.08 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 115.037 -0.983 . . . . 63.310000000000002 111.651 -175.307 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 99.47 -23.45 36.16 Favored Glycine 0 C--N 1.353 1.496 0 CA-C-O 119.801 -0.444 . . . . 73.409999999999997 113.448 169.43 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt -82.03 76.6 8.91 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.141 0.577 . . . . 73.230000000000004 110.277 -176.161 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.459 ' HB3' ' HA ' ' A' ' 78' ' ' ILE . . . -83.57 -4.53 58.64 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 115.582 -0.735 . . . . 73.109999999999999 112.569 -173.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.406 ' HG2' HD13 ' A' ' 78' ' ' ILE . 29.2 mtm180 -73.08 -45.25 58.34 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-N 118.184 0.447 . . . . 71.329999999999998 109.91 165.762 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -66.21 -38.36 87.76 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 114.956 -1.02 . . . . 63.299999999999997 109.773 175.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.45 ' HB3' ' HA ' ' A' ' 41' ' ' ALA . . . -57.46 -50.05 74.3 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 122.662 0.385 . . . . 72.230000000000004 110.35 171.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.13 -46.06 83.0 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 124.442 1.089 . . . . 75.430000000000007 112.695 -177.462 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -70.94 -32.79 69.78 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 122.516 0.326 . . . . 75.340000000000003 111.817 -176.304 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.433 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 24.5 m-85 -70.27 -36.85 74.69 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 122.229 0.212 . . . . 75.230000000000004 110.786 175.564 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.592 ' HB2' ' HG ' ' A' ' 71' ' ' LEU . 22.4 m-85 -67.66 -31.91 72.22 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 123.651 0.594 . . . . 61.140000000000001 110.765 175.003 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -74.93 -51.98 12.38 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 123.71 0.631 . . . . 72.239999999999995 111.233 -177.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 62.8 mtp180 -64.12 -33.0 74.78 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 123.863 0.727 . . . . 63.530000000000001 110.364 -178.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.05 -46.78 73.34 Favored 'General case' 0 C--N 1.349 0.569 0 CA-C-N 115.93 -0.577 . . . . 75.299999999999997 109.783 172.166 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.39 -29.83 70.17 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.859 0.864 . . . . 74.030000000000001 112.163 -179.437 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.431 ' O ' ' HD3' ' A' ' 57' ' ' LYS . 88.4 mt -60.1 -54.5 33.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 N-CA-C 109.105 -0.702 . . . . 74.140000000000001 109.105 172.567 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 59.9 t -62.33 -34.77 65.98 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.872 0 C-N-CA 123.845 0.858 . . . . 63.219999999999999 111.041 -177.194 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -68.36 -49.85 57.32 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 116.148 -0.478 . . . . 75.420000000000002 110.595 178.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -62.81 -46.81 86.25 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.479 0.712 . . . . 74.439999999999998 111.936 -176.531 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.431 ' HD3' ' O ' ' A' ' 53' ' ' ILE . 5.4 mptp? -56.15 -42.43 76.97 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.056 0.943 . . . . 44.219999999999999 111.637 177.215 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.417 ' HG3' ' HA3' ' A' ' 21' ' ' GLY . 29.4 mm-40 -86.73 -8.61 57.24 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 115.808 -0.633 . . . . 73.239999999999995 112.065 178.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 61.0 61.85 1.54 Allowed 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.968 1.307 . . . . 71.439999999999998 112.118 -179.063 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -113.94 86.98 2.52 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 125.245 1.418 . . . . 62.130000000000003 107.769 174.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.4 m -68.27 -23.59 64.78 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.616 0.767 . . . . 70.340000000000003 111.221 -176.111 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -57.26 -57.47 12.46 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.947 1.299 . . . . 74.450000000000003 110.221 174.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -72.78 -38.87 56.39 Favored Glycine 0 C--N 1.343 0.966 0 CA-C-N 114.974 -1.012 . . . . 74.040000000000006 112.804 177.602 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 61.6 tp -62.37 -44.37 96.63 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.668 0.787 . . . . 53.439999999999998 111.421 -175.499 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 64.5 ttt180 -64.99 -45.31 86.11 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.462 0.705 . . . . 64.329999999999998 110.192 179.535 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 36.6 ttp-105 -69.13 -33.72 73.9 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 114.663 -1.153 . . . . 75.5 111.212 -175.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.459 ' O ' ' HB2' ' A' ' 71' ' ' LEU . . . -75.85 -41.24 52.94 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.82 0.848 . . . . 71.010000000000005 110.556 176.789 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.36 -42.47 98.89 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 124.098 0.959 . . . . 71.219999999999999 111.404 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.437 ' O ' ' HG2' ' A' ' 73' ' ' GLU . 22.5 tptm -66.69 -52.09 48.6 Favored 'General case' 0 C--N 1.345 0.397 0 CA-C-N 114.658 -1.155 . . . . 73.409999999999997 109.865 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 78.2 p -63.45 -30.05 71.23 Favored 'General case' 0 C--N 1.349 0.546 0 O-C-N 123.916 0.76 . . . . 63.43 111.484 -178.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.592 ' HG ' ' HB2' ' A' ' 48' ' ' PHE . 0.7 OUTLIER -63.75 -51.81 63.22 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.082 0.953 . . . . 71.340000000000003 109.031 177.735 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.7 tmmm? -69.1 -33.54 73.68 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 123.992 0.917 . . . . 53.520000000000003 111.363 -177.382 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 69' ' ' LYS . 26.4 mm-40 -69.88 -33.13 71.82 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 110.083 -0.34 . . . . 60.409999999999997 110.083 173.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.538 ' O ' HG13 ' A' ' 78' ' ' ILE . . . -69.34 -32.09 70.95 Favored 'General case' 0 C--O 1.214 -0.785 0 CA-C-O 118.841 -0.6 . . . . 60.350000000000001 110.918 177.69 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.44 HG12 ' O ' ' A' ' 71' ' ' LEU . 36.5 mm -60.64 -49.93 82.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 C-N-CA 123.249 0.62 . . . . 72.230000000000004 111.558 -177.255 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 17.0 p -68.1 -27.79 66.78 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 123.892 0.745 . . . . 64.409999999999997 111.207 175.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -82.2 -8.56 59.65 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.796 0.839 . . . . 74.239999999999995 112.504 179.11 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.538 HG13 ' O ' ' A' ' 74' ' ' ALA . 78.3 mt -66.46 127.76 93.5 Favored Pre-proline 0 CA--C 1.554 1.126 0 N-CA-C 109.432 -0.581 . . . . 33.409999999999997 109.432 176.28 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -78.82 169.4 19.59 Favored 'Trans proline' 0 C--N 1.368 1.599 0 C-N-CA 122.433 2.089 . . . . 61.229999999999997 112.486 178.441 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 63.53 12.27 6.3 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 124.673 1.189 . . . . 73.409999999999997 113.273 169.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 63.68 35.23 11.61 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 124.452 1.101 . . . . 74.140000000000001 111.311 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -87.08 168.24 13.46 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-N 115.414 -0.812 . . . . 64.319999999999993 109.282 172.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.444 ' HA2' ' H ' ' A' ' 87' ' ' ALA . . . 58.97 18.78 41.89 Favored Glycine 0 C--N 1.348 1.21 0 N-CA-C 115.309 0.884 . . . . 53.520000000000003 115.309 171.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 24.4 mmt180 -83.93 -40.43 18.54 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 122.001 0.905 . . . . 73.140000000000001 109.211 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -102.36 -15.83 16.42 Favored 'General case' 0 CA--C 1.554 1.123 0 CA-C-N 113.936 -1.483 . . . . 63.140000000000001 109.645 -178.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -105.53 -77.02 0.59 Allowed 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.124 0.969 . . . . 74.150000000000006 111.33 -175.045 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.444 ' H ' ' HA2' ' A' ' 83' ' ' GLY . . . -68.23 -26.0 65.48 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.85 0.86 . . . . 53.549999999999997 112.352 -170.276 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -61.31 -34.2 74.83 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.86 0.864 . . . . 75.349999999999994 111.938 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -65.38 -30.59 71.43 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 115.63 -0.714 . . . . 74.200000000000003 110.896 178.501 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 40.5 mtm -72.65 -40.82 66.06 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 115.496 -0.774 . . . . 74.340000000000003 110.174 177.129 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.502 ' HB2' HD22 ' A' ' 71' ' ' LEU . . . -61.48 -42.6 99.03 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.15 0.58 . . . . 71.5 110.53 174.55 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.436 ' O ' ' HG2' ' A' ' 96' ' ' GLU . 56.6 tptt -59.76 -47.35 86.04 Favored 'General case' 0 C--O 1.223 -0.335 0 O-C-N 124.882 1.364 . . . . 60.020000000000003 109.359 178.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 15.7 mmtm -59.83 -44.4 94.07 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 124.451 1.095 . . . . 32.240000000000002 111.509 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.29 -39.65 92.83 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.185 0.594 . . . . 74.129999999999995 111.713 -177.278 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -75.39 -28.54 59.5 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.564 0.746 . . . . 65.340000000000003 110.772 178.149 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 15.8 mm-40 -66.09 -40.51 90.86 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 122.95 0.5 . . . . 72.430000000000007 109.78 172.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 47.7 m0 -66.44 -35.58 80.65 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.585 0.754 . . . . 74.549999999999997 111.038 177.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.429 ' O ' ' HG2' ' A' ' 102' ' ' GLN . 51.4 tp -59.57 -50.31 74.38 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 123.882 0.739 . . . . 73.420000000000002 110.211 175.489 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -65.51 -30.79 71.6 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.274 0.63 . . . . 72.200000000000003 110.949 178.138 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.45 -33.49 75.25 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.698 0.799 . . . . 75.540000000000006 111.249 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -77.98 -34.81 50.76 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 122.926 0.49 . . . . 74.420000000000002 111.105 175.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.429 ' HG2' ' O ' ' A' ' 98' ' ' LEU . 15.0 mm-40 -73.39 102.27 3.7 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 109.046 -0.724 . . . . 72.219999999999999 109.046 178.29 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -66.12 148.66 51.49 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 123.674 0.79 . . . . 73.200000000000003 112.099 -174.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 52.0 t-20 . . . . . 0 C--O 1.256 1.44 0 C-N-CA 124.94 1.296 . . . . 53.32 107.517 176.797 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.649 0.261 . . . . 63.049999999999997 111.351 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -137.17 21.24 2.99 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.278 0.631 . . . . 63.530000000000001 110.853 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -73.41 -35.57 65.85 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.39 0.676 . . . . 74.549999999999997 109.612 -177.383 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -68.01 -44.66 76.03 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.377 1.071 . . . . 63.200000000000003 110.053 172.23 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.536 HG23 HG23 ' A' ' 31' ' ' ILE . 49.6 mm -59.32 -33.73 51.94 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.88 0 C-N-CA 124.226 1.01 . . . . 73.219999999999999 111.356 -177.659 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.84 -32.69 60.88 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.461 1.104 . . . . 74.239999999999995 113.248 -177.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -73.0 -45.93 55.05 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.297 0.639 . . . . 62.420000000000002 110.748 178.538 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -72.82 -20.5 61.13 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 115.322 -0.854 . . . . 73.129999999999995 112.479 -174.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -63.17 -32.84 74.33 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.188 0.595 . . . . 75.230000000000004 111.794 174.391 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -68.63 -28.15 66.65 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.427 0.691 . . . . 63.329999999999998 111.29 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.61 -34.22 75.28 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 122.73 0.412 . . . . 73.019999999999996 110.475 176.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.606 ' HD1' ' HB3' ' A' ' 27' ' ' ALA . 4.4 t80 -85.62 168.64 14.25 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 115.701 -0.681 . . . . 54.119999999999997 109.846 176.341 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 89.5 mttt 69.45 82.23 0.17 Allowed 'General case' 0 C--N 1.356 0.865 0 C-N-CA 125.094 1.358 . . . . 64.239999999999995 110.048 176.206 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt 56.93 85.91 0.08 Allowed 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.982 1.313 . . . . 71.230000000000004 110.586 -176.497 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.603 ' HB3' ' HB3' ' A' ' 23' ' ' LEU . . . -62.58 -36.62 83.29 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 122.657 0.383 . . . . 72.120000000000005 111.576 -177.629 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -130.91 -79.02 0.53 Allowed 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.607 0.763 . . . . 71.430000000000007 109.266 176.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -148.81 152.69 36.96 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.396 0.678 . . . . 44.439999999999998 109.982 174.137 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.2 mp 69.08 141.4 0.04 OUTLIER 'General case' 0 CA--C 1.56 1.343 0 C-N-CA 125.148 1.379 . . . . 65.340000000000003 111.384 -173.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -71.5 89.47 0.95 Allowed 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 108.448 -0.945 . . . . 52.140000000000001 108.448 171.283 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -122.39 113.07 18.87 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 108.305 -0.998 . . . . 65.409999999999997 108.305 179.001 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.79 -21.45 63.16 Favored Glycine 0 C--N 1.347 1.149 0 O-C-N 123.488 0.492 . . . . 43.030000000000001 114.163 -176.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -67.2 -26.44 66.61 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.445 0.698 . . . . 63.039999999999999 111.599 174.413 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.603 ' HB3' ' HB3' ' A' ' 15' ' ' ALA . 79.5 mt -76.53 -16.52 59.61 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 123.332 0.653 . . . . 73.420000000000002 111.383 174.24 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 35.3 mtm -132.2 -153.92 0.58 Allowed 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.04 0.936 . . . . 75.219999999999999 109.663 -171.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.64 -62.74 3.97 Favored Glycine 0 C--N 1.348 1.208 0 N-CA-C 111.427 -0.669 . . . . 72.219999999999999 111.427 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 37.5 ttt-85 -64.53 -22.66 67.03 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 123.328 0.651 . . . . 74.040000000000006 110.654 176.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.606 ' HB3' ' HD1' ' A' ' 12' ' ' TYR . . . -64.21 -47.09 81.08 Favored 'General case' 0 C--N 1.347 0.462 0 C-N-CA 122.875 0.47 . . . . 65.129999999999995 111.179 174.394 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.526 ' HG ' ' CD1' ' A' ' 12' ' ' TYR . 26.4 mt -67.03 -38.66 86.3 Favored 'General case' 0 C--N 1.365 1.274 0 CA-C-O 120.847 0.356 . . . . 75.319999999999993 110.536 176.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -56.74 -42.8 79.93 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 124.218 1.007 . . . . 75.129999999999995 111.055 174.177 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -71.63 -38.49 70.77 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.034 0.934 . . . . 71.239999999999995 110.453 -175.157 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.536 HG23 HG23 ' A' ' 5' ' ' ILE . 91.5 mt -61.14 -41.96 91.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 123.681 0.792 . . . . 70.109999999999999 109.57 172.646 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -60.29 -36.56 91.19 Favored Glycine 0 C--N 1.352 1.435 0 CA-C-N 115.289 -0.869 . . . . 72.409999999999997 112.751 177.274 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.1 mt -68.35 -43.8 76.65 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.264 0.625 . . . . 72.310000000000002 110.3 176.405 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -63.08 -33.41 75.39 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.325 0.65 . . . . 62.329999999999998 111.073 178.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.486 ' HD3' ' HB3' ' A' ' 43' ' ' GLU . 64.3 mttm -72.78 -46.16 54.75 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.441 0.696 . . . . 74.430000000000007 110.638 175.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -59.69 -33.68 71.9 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.56 0.744 . . . . 75.319999999999993 110.323 178.615 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -63.46 -38.45 91.2 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.031 1.332 . . . . 72.230000000000004 111.038 176.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.452 ' HE2' ' HA ' ' A' ' 35' ' ' LYS . 51.1 mtm -83.62 6.85 19.27 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.646 0.778 . . . . 70.329999999999998 111.393 178.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.57 2.02 90.06 Favored Glycine 0 C--N 1.356 1.642 0 CA-C-O 120.174 -0.236 . . . . 61.32 113.063 -178.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp -82.73 78.92 9.27 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.376 0.67 . . . . 73.120000000000005 109.893 178.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.67 -33.18 53.42 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.686 0.794 . . . . 54.25 111.065 179.035 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 47.6 tpt85 -66.13 -45.83 79.66 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.77 0.828 . . . . 72.540000000000006 110.431 -179.016 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.486 ' HB3' ' HD3' ' A' ' 35' ' ' LYS . 47.9 mt-10 -69.77 -39.85 76.41 Favored 'General case' 0 C--N 1.353 0.757 0 O-C-N 123.66 0.6 . . . . 74.409999999999997 110.64 175.716 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.76 -43.3 72.61 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 123.755 0.659 . . . . 63.439999999999998 111.283 -179.547 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.24 -39.07 85.42 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 124.116 0.885 . . . . 34.509999999999998 112.752 -178.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.429 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 14.5 mm-40 -58.19 -51.27 70.45 Favored 'General case' 0 N--CA 1.477 0.875 0 O-C-N 123.825 0.703 . . . . 73.549999999999997 110.329 177.515 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -72.89 -30.88 64.28 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.347 1.059 . . . . 74.540000000000006 112.192 -174.166 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -68.82 -32.01 71.41 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 122.854 0.461 . . . . 72.430000000000007 111.01 174.054 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.441 ' CG ' ' HB3' ' A' ' 90' ' ' MET . 27.4 t80 -72.48 -47.91 44.96 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 123.454 0.471 . . . . 73.209999999999994 110.842 178.132 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.429 ' HG3' ' O ' ' A' ' 46' ' ' GLU . 85.8 mtt180 -61.03 -38.56 86.56 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 124.097 0.873 . . . . 75.310000000000002 109.765 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.33 -47.34 84.65 Favored 'General case' 0 C--N 1.348 0.539 0 CA-C-N 115.131 -0.941 . . . . 60.340000000000003 110.517 173.177 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.72 -36.06 79.86 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.52 0.728 . . . . 62.399999999999999 112.11 -178.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 95.7 mt -59.17 -48.86 85.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 123.978 0.911 . . . . 73.010000000000005 110.089 174.668 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.511 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 85.9 t -60.35 -53.11 53.3 Favored 'Isoleucine or valine' 0 C--N 1.351 0.661 0 O-C-N 124.145 0.903 . . . . 51.140000000000001 110.225 -179.371 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -60.74 -31.02 70.35 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.235 0.614 . . . . 73.299999999999997 112.415 -179.035 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 30.2 t80 -70.77 -49.98 40.86 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.307 0.643 . . . . 62.109999999999999 111.304 177.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -74.43 -21.36 59.65 Favored 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 112.625 0.602 . . . . 72.519999999999996 112.625 -177.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.511 ' HG2' ' O ' ' A' ' 54' ' ' VAL . 5.6 mm-40 -85.4 -12.64 51.56 Favored 'General case' 0 N--CA 1.485 1.293 0 N-CA-C 109.731 -0.47 . . . . 51.109999999999999 109.731 169.094 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 74.3 m-70 62.85 29.78 16.61 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.46 1.504 . . . . 73.129999999999995 112.39 -179.041 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -80.38 87.61 5.62 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 107.991 -1.114 . . . . 74.120000000000005 107.991 169.485 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 33.4 m -61.62 -31.12 71.19 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 124.47 1.108 . . . . 71.25 112.373 -174.364 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -64.27 -52.88 56.46 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.239 1.015 . . . . 71.439999999999998 111.106 178.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -69.24 -30.55 71.65 Favored Glycine 0 C--N 1.345 1.062 0 CA-C-N 115.535 -0.757 . . . . 54.130000000000003 112.882 178.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 59.9 tp -66.37 -40.74 89.93 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.1 0.56 . . . . 64.030000000000001 109.948 176.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -61.59 -45.85 92.38 Favored 'General case' 0 N--CA 1.477 0.906 0 O-C-N 123.83 0.706 . . . . 74.209999999999994 110.012 175.589 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 61.2 ttm-85 -67.88 -40.91 83.49 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 124.745 1.278 . . . . 71.420000000000002 111.548 -174.13 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.431 ' O ' ' HB2' ' A' ' 71' ' ' LEU . . . -75.12 -34.42 61.69 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.57 0.748 . . . . 73.219999999999999 110.854 179.463 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.51 -40.32 89.13 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.241 0.616 . . . . 71.349999999999994 111.141 174.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.545 ' O ' ' HG2' ' A' ' 73' ' ' GLU . 22.4 tptm -68.24 -50.92 50.72 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-N 114.627 -1.17 . . . . 74.109999999999999 109.72 -179.618 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 50.6 m -64.69 -29.49 70.49 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 122.697 0.399 . . . . 65.340000000000003 111.066 -178.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.616 HD13 ' HA ' ' A' ' 91' ' ' ALA . 0.6 OUTLIER -61.12 -53.41 57.38 Favored 'General case' 0 C--N 1.354 0.801 0 C-N-CA 123.314 0.646 . . . . 71.019999999999996 109.345 176.601 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.64 -29.56 65.96 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 122.748 0.419 . . . . 70.040000000000006 111.929 -178.076 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.545 ' HG2' ' O ' ' A' ' 69' ' ' LYS . 10.2 mm-40 -66.04 -34.84 79.0 Favored 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 109.625 -0.509 . . . . 74.030000000000001 109.625 172.643 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.561 ' O ' HG13 ' A' ' 78' ' ' ILE . . . -70.73 -36.24 73.09 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.228 0.611 . . . . 43.039999999999999 110.948 176.419 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.486 HG12 ' O ' ' A' ' 71' ' ' LEU . 44.1 mm -64.55 -44.71 96.84 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 C-N-CA 123.293 0.637 . . . . 74.239999999999995 111.43 -177.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 30.8 p -68.16 -13.27 62.1 Favored 'General case' 0 CA--C 1.551 0.982 0 CA-C-N 115.668 -0.696 . . . . 73.439999999999998 111.289 176.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -97.09 -17.57 19.88 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 123.995 0.918 . . . . 75.329999999999998 111.484 173.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.676 HG21 ' HA3' ' A' ' 83' ' ' GLY . 43.5 mt -78.11 132.97 65.59 Favored Pre-proline 0 N--CA 1.485 1.287 0 N-CA-C 108.777 -0.823 . . . . 54.409999999999997 108.777 173.63 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -59.32 158.63 25.88 Favored 'Trans proline' 0 C--N 1.377 2.061 0 C-N-CA 122.749 2.299 . . . . 73.530000000000001 112.293 168.506 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.471 ' HG2' ' HE ' ' A' ' 84' ' ' ARG . 42.2 mt-10 -79.72 176.16 9.97 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 122.994 0.518 . . . . 72.299999999999997 111.531 177.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 70.83 -3.35 2.0 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 124.978 1.311 . . . . 73.409999999999997 112.583 -174.389 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -170.5 139.84 1.69 Allowed 'General case' 0 C--N 1.357 0.926 0 C-N-CA 124.125 0.97 . . . . 73.299999999999997 108.603 177.42 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.676 ' HA3' HG21 ' A' ' 78' ' ' ILE . . . 71.78 -61.91 1.25 Allowed Glycine 0 CA--C 1.534 1.227 0 N-CA-C 114.808 0.683 . . . . 33.43 114.808 -177.087 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.471 ' HE ' ' HG2' ' A' ' 80' ' ' GLU . 0.4 OUTLIER -60.1 -27.18 66.81 Favored 'General case' 0 CA--C 1.559 1.302 0 C-N-CA 123.839 0.856 . . . . 64.430000000000007 110.157 176.266 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -88.33 -33.46 17.98 Favored 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 123.431 0.692 . . . . 64.129999999999995 111.278 173.386 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -104.05 -65.81 1.0 Allowed 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.937 0.895 . . . . 72.150000000000006 111.343 -163.333 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.96 -24.25 65.94 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.649 1.18 . . . . 75.409999999999997 112.492 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -58.64 -32.99 69.56 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 123.498 0.719 . . . . 72.349999999999994 112.345 177.245 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -60.78 -32.34 71.67 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.489 0.716 . . . . 62.32 110.681 177.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.441 ' HB3' ' CG ' ' A' ' 49' ' ' PHE . 31.0 mtm -74.14 -38.02 63.88 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 114.917 -1.038 . . . . 75.340000000000003 111.113 178.315 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.616 ' HA ' HD13 ' A' ' 71' ' ' LEU . . . -58.15 -43.0 87.14 Favored 'General case' 0 C--N 1.352 0.687 0 O-C-N 123.767 0.667 . . . . 64.230000000000004 109.711 173.804 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.452 ' O ' ' HG2' ' A' ' 96' ' ' GLU . 52.6 mtpt -62.05 -42.29 99.03 Favored 'General case' 0 C--N 1.351 0.635 0 O-C-N 124.481 1.113 . . . . 71.510000000000005 111.521 178.095 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 25.7 mmtp -56.38 -50.75 70.67 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.521 0.728 . . . . 74.120000000000005 110.699 177.231 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.7 -33.1 72.35 Favored 'General case' 0 CA--C 1.552 1.048 0 CA-C-N 115.027 -0.988 . . . . 52.439999999999998 111.858 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.488 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 45.8 mt-10 -68.24 -45.84 72.11 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.269 1.027 . . . . 71.329999999999998 110.71 174.525 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 19.4 mm-40 -61.09 -38.88 87.83 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.676 0.79 . . . . 75.129999999999995 110.774 -178.404 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 49.3 m0 -66.24 -41.71 89.64 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 114.982 -1.008 . . . . 73.200000000000003 110.234 177.503 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 51.2 tp -64.85 -37.39 87.45 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 123.657 0.598 . . . . 61.439999999999998 110.608 178.347 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.488 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 81.7 mm-40 -71.56 -25.68 62.31 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.199 0.599 . . . . 63.450000000000003 111.149 178.313 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -77.71 -41.65 37.15 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.512 0.725 . . . . 73.409999999999997 110.986 176.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -69.59 -43.63 72.44 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.352 0.661 . . . . 63.420000000000002 110.798 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -72.88 105.92 4.6 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 108.395 -0.965 . . . . 75.420000000000002 108.395 170.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -59.71 134.07 56.68 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.076 0.55 . . . . 62.32 109.713 177.092 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 6.9 t30 . . . . . 0 CA--C 1.554 1.122 0 C-N-CA 122.853 0.461 . . . . 60.32 109.844 175.209 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.93 0 CA-C-O 120.729 0.3 . . . . 72.209999999999994 111.523 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.828 ' HA ' HD13 ' A' ' 5' ' ' ILE . 55.4 m-20 -124.59 33.02 5.33 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 112.367 0.506 . . . . 61.350000000000001 112.367 -165.06 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.2 mp0 -71.78 -53.17 14.24 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 108.888 -0.782 . . . . 61.149999999999999 108.888 178.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.454 ' O ' ' HB3' ' A' ' 7' ' ' LYS . 27.5 t-20 -65.11 -28.85 69.73 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-N 115.006 -0.997 . . . . 63.420000000000002 110.939 179.203 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.828 HD13 ' HA ' ' A' ' 2' ' ' ASP . 2.0 mp -62.41 -45.29 99.13 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.788 0 C-N-CA 123.302 0.641 . . . . 64.230000000000004 109.663 176.413 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.07 -30.49 68.1 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.966 0.906 . . . . 71.150000000000006 112.403 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.454 ' HB3' ' O ' ' A' ' 4' ' ' ASN . 53.9 tttp -58.88 -51.37 70.33 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.981 0.912 . . . . 61.509999999999998 110.675 175.52 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -79.34 -23.1 43.66 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 115.785 -0.643 . . . . 71.450000000000003 112.468 -175.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -70.55 -36.75 73.82 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 109.836 -0.431 . . . . 72.120000000000005 109.836 172.041 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.2 tmtt? -68.41 -42.68 78.64 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 108.399 -0.963 . . . . 71.409999999999997 108.399 175.194 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.36 -29.5 69.69 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 123.896 0.878 . . . . 62.119999999999997 111.514 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.519 ' CE2' ' HG ' ' A' ' 28' ' ' LEU . 2.0 t80 -80.3 98.73 7.54 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 109.265 -0.642 . . . . 75.219999999999999 109.265 -179.33 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.579 ' HB2' HE22 ' A' ' 20' ' ' GLN . 96.9 mttt -85.26 23.2 1.33 Allowed 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.977 0.911 . . . . 43.299999999999997 112.152 -178.306 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.416 ' H ' ' HD1' ' A' ' 12' ' ' TYR . 19.0 tptm 60.29 93.02 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.235 1.414 . . . . 64.200000000000003 110.926 -177.441 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.548 ' HB1' ' HA2' ' A' ' 21' ' ' GLY . . . -61.97 -24.45 67.02 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.578 1.151 . . . . 53.119999999999997 112.794 -176.057 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -81.26 -25.36 36.65 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 123.583 0.753 . . . . 75.319999999999993 111.131 -174.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -103.86 -58.9 1.81 Allowed 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 122.972 0.509 . . . . 75.299999999999997 110.399 -175.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.56 ' HB3' HE21 ' A' ' 20' ' ' GLN . 1.6 tt -79.73 118.71 21.78 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 107.726 -1.213 . . . . 52.039999999999999 107.726 176.833 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -62.48 89.82 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.255 1.022 . . . . 64.140000000000001 111.173 -175.458 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.579 HE22 ' HB2' ' A' ' 13' ' ' LYS . 45.3 mt-30 -142.13 -69.38 0.36 Allowed 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.488 1.115 . . . . 45.450000000000003 109.162 179.162 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.548 ' HA2' ' HB1' ' A' ' 15' ' ' ALA . . . 74.59 -74.65 1.29 Allowed Glycine 0 C--N 1.359 1.822 0 CA-C-N 115.747 -0.661 . . . . 53.219999999999999 113.306 -178.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -52.23 -33.94 43.64 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 126.138 1.775 . . . . 65.319999999999993 113.135 -177.527 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 40.7 mt -79.94 0.59 30.78 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.622 0.769 . . . . 70.310000000000002 111.969 -174.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.491 ' HG2' ' HA ' ' A' ' 12' ' ' TYR . 23.6 mtm -138.88 -171.35 3.07 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.293 1.037 . . . . 71.040000000000006 110.48 -179.415 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.65 -55.82 4.43 Favored Glycine 0 C--N 1.347 1.162 0 N-CA-C 109.805 -1.318 . . . . 70.120000000000005 109.805 -170.138 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -58.1 -35.32 71.26 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.463 1.105 . . . . 75.030000000000001 111.114 175.053 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.83 -46.06 81.94 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 123.158 0.583 . . . . 50.219999999999999 111.163 174.042 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.519 ' HG ' ' CE2' ' A' ' 12' ' ' TYR . 28.2 mt -66.11 -35.41 80.44 Favored 'General case' 0 N--CA 1.484 1.227 0 O-C-N 123.133 0.27 . . . . 73.439999999999998 111.237 176.607 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -58.64 -44.5 90.1 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.251 0.621 . . . . 74.219999999999999 110.946 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 66.5 m-80 -68.24 -34.8 76.88 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 122.781 0.433 . . . . 75.319999999999993 111.468 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.495 HD12 HD23 ' A' ' 28' ' ' LEU . 85.4 mt -62.32 -40.71 88.87 Favored 'Isoleucine or valine' 0 C--N 1.352 0.695 0 N-CA-C 109.532 -0.544 . . . . 72.010000000000005 109.532 174.024 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.8 -37.51 94.79 Favored Glycine 0 C--N 1.344 1.016 0 CA-C-N 115.214 -0.903 . . . . 43.109999999999999 112.331 176.6 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.5 mt -63.37 -40.7 97.98 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.393 0.677 . . . . 52.329999999999998 110.411 178.285 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -67.79 -44.25 77.8 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 123.98 0.8 . . . . 73.209999999999994 111.403 179.553 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.612 ' HE2' HG12 ' A' ' 5' ' ' ILE . 6.0 mptp? -59.35 -48.94 79.73 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.484 0.714 . . . . 71.5 109.767 175.63 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -60.79 -36.02 77.93 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.051 0.94 . . . . 62.399999999999999 110.656 -178.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.2 tptt -67.5 -39.38 85.16 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.842 0.857 . . . . 73.430000000000007 110.851 178.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 53.5 mtm -77.54 -7.69 56.67 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.011 0.525 . . . . 74.019999999999996 111.495 178.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 92.47 1.32 68.92 Favored Glycine 0 C--N 1.346 1.087 0 N-CA-C 112.082 -0.407 . . . . 54.329999999999998 112.082 -178.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -79.04 68.28 4.95 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 108.878 -0.786 . . . . 74.430000000000007 108.878 173.175 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.457 ' HB1' ' O ' ' A' ' 74' ' ' ALA . . . -78.26 -25.86 46.98 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.039 0.936 . . . . 61.210000000000001 111.604 -173.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -65.93 -49.39 68.14 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.403 1.081 . . . . 63.340000000000003 109.36 172.567 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -64.39 -41.3 96.73 Favored 'General case' 0 N--CA 1.478 0.933 0 O-C-N 123.839 0.712 . . . . 73.109999999999999 110.915 175.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.52 -46.02 87.64 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.944 0.898 . . . . 75.349999999999994 110.843 -178.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.62 -33.71 66.54 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 124.649 1.218 . . . . 60.5 111.889 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.432 ' HB3' ' NH1' ' A' ' 50' ' ' ARG . 42.3 mt-10 -65.78 -51.74 56.57 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.519 0.728 . . . . 55.310000000000002 110.676 177.266 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.485 ' HD1' HD22 ' A' ' 28' ' ' LEU . 79.5 m-85 -68.86 -33.41 73.75 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 115.613 -0.721 . . . . 61.240000000000002 111.921 -175.332 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.416 ' HB2' ' HG ' ' A' ' 71' ' ' LEU . 19.8 m-85 -68.02 -35.35 78.13 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 123.736 0.647 . . . . 73.439999999999998 110.434 176.234 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -70.82 -50.77 31.97 Favored 'General case' 0 C--N 1.347 0.468 0 CA-C-N 115.91 -0.586 . . . . 64.540000000000006 111.206 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.432 ' NH1' ' HB3' ' A' ' 46' ' ' GLU . 67.9 mtt180 -68.7 -29.84 68.36 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.501 -0.772 . . . . 65.239999999999995 110.589 -176.761 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.24 -51.23 67.05 Favored 'General case' 0 C--N 1.348 0.512 0 O-C-N 124.075 0.859 . . . . 70.439999999999998 109.427 168.066 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.6 -31.31 69.36 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.1 0.96 . . . . 73.530000000000001 112.011 -177.349 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.521 ' O ' ' HD3' ' A' ' 57' ' ' LYS . 93.6 mt -60.71 -53.75 44.65 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 C-N-CA 123.677 0.791 . . . . 73.430000000000007 109.64 174.455 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 46.4 t -63.56 -39.93 87.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 123.05 0.54 . . . . 72.109999999999999 110.749 -176.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -61.7 -43.34 99.04 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.202 0.601 . . . . 74.230000000000004 110.988 176.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -63.78 -45.97 87.31 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.871 0.869 . . . . 74.430000000000007 111.218 -179.08 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.521 ' HD3' ' O ' ' A' ' 53' ' ' ILE . 5.5 mptp? -55.51 -43.09 75.37 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.833 0.853 . . . . 71.5 111.671 173.253 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -80.86 -11.46 59.58 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 122.962 0.505 . . . . 64.439999999999998 111.709 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 64.54 28.46 13.36 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.139 1.376 . . . . 75.150000000000006 111.82 -177.465 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -80.98 83.73 6.62 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 108.198 -1.038 . . . . 72.219999999999999 108.198 173.296 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 10.8 p -56.21 -33.07 64.99 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.186 0.994 . . . . 62.520000000000003 113.293 174.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.427 ' O ' ' HG3' ' A' ' 66' ' ' ARG . 27.1 t70 -66.96 -50.78 61.24 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.116 0.566 . . . . 74.439999999999998 110.566 -177.318 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -67.37 -41.17 91.41 Favored Glycine 0 C--N 1.349 1.261 0 O-C-N 123.639 0.587 . . . . 72.310000000000002 112.22 176.336 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 44.1 tp -58.11 -37.26 74.22 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.586 1.154 . . . . 55.450000000000003 110.723 176.422 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -64.88 -50.78 65.21 Favored 'General case' 0 C--N 1.347 0.471 0 C-N-CA 124.274 1.03 . . . . 75.430000000000007 109.807 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.427 ' HG3' ' O ' ' A' ' 62' ' ' ASP . 81.6 mtt-85 -57.51 -45.97 84.35 Favored 'General case' 0 N--CA 1.475 0.775 0 O-C-N 124.335 1.022 . . . . 74.420000000000002 110.575 178.475 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.457 ' O ' ' HB2' ' A' ' 71' ' ' LEU . . . -67.67 -38.6 83.98 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.025 0.93 . . . . 70.140000000000001 111.522 -177.108 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.91 -43.2 68.78 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.582 0.753 . . . . 73.450000000000003 111.371 -178.477 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.548 ' HE2' ' HA ' ' A' ' 69' ' ' LYS . 10.7 mmpt? -65.51 -51.49 59.63 Favored 'General case' 0 C--N 1.347 0.461 0 CA-C-N 115.735 -0.666 . . . . 62.329999999999998 110.399 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 27.0 m -64.41 -29.81 70.86 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.953 0.901 . . . . 72.450000000000003 111.604 -178.427 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.523 HD13 ' HA ' ' A' ' 91' ' ' ALA . 1.0 OUTLIER -60.11 -48.41 81.85 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.413 0.685 . . . . 64.239999999999995 109.371 176.629 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -70.39 -34.18 72.27 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-N 115.422 -0.808 . . . . 73.519999999999996 111.614 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -70.21 -21.09 63.05 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.463 0.705 . . . . 73.040000000000006 110.458 176.372 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.457 ' O ' ' HB1' ' A' ' 41' ' ' ALA . . . -80.92 -35.51 32.28 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.299 0.639 . . . . 74.239999999999995 110.455 171.316 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.715 HG21 ' HD3' ' A' ' 88' ' ' LYS . 40.4 mm -60.71 -45.82 96.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 CA-C-O 120.941 0.401 . . . . 74.319999999999993 111.247 -178.486 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 14.8 t -66.71 -15.55 63.6 Favored 'General case' 0 CA--C 1.555 1.139 0 CA-C-N 115.553 -0.748 . . . . 65.409999999999997 111.566 -179.041 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -106.48 -3.37 20.99 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 123.938 0.895 . . . . 55.539999999999999 112.7 -178.576 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 86.1 mt -64.98 127.37 92.72 Favored Pre-proline 0 N--CA 1.49 1.558 0 CA-C-O 118.971 -0.538 . . . . 73.439999999999998 109.55 176.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_exo -55.0 126.04 21.23 Favored 'Trans proline' 0 C--N 1.37 1.673 0 C-N-CA 123.287 2.658 . . . . 51.340000000000003 112.607 165.45 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -67.08 85.58 0.14 Allowed 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 124.76 1.224 . . . . 73.439999999999998 111.05 -177.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 177.69 -50.48 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.957 1.303 . . . . 73.430000000000007 109.395 179.283 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -59.84 -61.85 2.31 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 124.11 0.881 . . . . 70.439999999999998 112.464 -172.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 174.69 85.84 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 121.462 -0.399 . . . . 63.020000000000003 112.247 -178.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 27.0 mmt85 -66.86 -69.33 0.31 Allowed 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.199 0.6 . . . . 65.129999999999995 109.456 173.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.496 ' HA ' ' HB3' ' A' ' 88' ' ' LYS . 49.4 mtmt -62.38 -36.18 81.49 Favored 'General case' 0 N--CA 1.48 1.039 0 O-C-N 124.096 0.872 . . . . 74.430000000000007 111.605 -179.093 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -45.54 -60.44 2.18 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 124.821 1.248 . . . . 55.119999999999997 111.547 174.294 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.591 ' HA ' ' HE2' ' A' ' 90' ' ' MET . . . -76.94 -26.13 53.68 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 115.814 -0.63 . . . . 73.019999999999996 111.802 179.518 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.715 ' HD3' HG21 ' A' ' 75' ' ' ILE . 28.6 tptp -65.56 -36.12 82.84 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.294 1.037 . . . . 62.109999999999999 111.105 -176.073 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.486 ' HG2' ' O ' ' A' ' 85' ' ' LYS . 11.8 mm-40 -63.86 -37.71 88.4 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 122.877 0.471 . . . . 72.439999999999998 110.354 176.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.591 ' HE2' ' HA ' ' A' ' 87' ' ' ALA . 37.4 mtm -68.44 -38.56 81.27 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 115.345 -0.843 . . . . 73.310000000000002 110.499 177.038 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.523 ' HA ' HD13 ' A' ' 71' ' ' LEU . . . -62.12 -40.35 95.61 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.319 0.648 . . . . 72.25 110.226 176.698 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.514 ' O ' ' HG2' ' A' ' 96' ' ' GLU . 57.2 tttm -72.2 -33.42 67.62 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 123.921 0.763 . . . . 72.0 110.667 -178.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 59.1 mmtt -59.4 -47.63 84.71 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 122.804 0.442 . . . . 75.120000000000005 110.381 174.086 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.33 -32.96 73.8 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 115.281 -0.872 . . . . 75.019999999999996 111.487 177.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' A' ' 91' ' ' ALA . 45.0 mt-10 -67.75 -42.63 81.51 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.37 0.668 . . . . 75.209999999999994 111.145 174.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.514 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 49.3 mm-40 -60.79 -46.77 89.19 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 123.812 0.695 . . . . 64.150000000000006 110.061 -178.779 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 44.4 m0 -63.18 -42.95 99.46 Favored 'General case' 0 C--N 1.345 0.406 0 O-C-N 124.507 1.13 . . . . 64.120000000000005 111.092 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 26.5 tp -62.93 -50.1 72.15 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 123.914 0.759 . . . . 74.340000000000003 111.167 -176.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -69.82 -32.48 70.93 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.211 0.604 . . . . 74.409999999999997 110.893 -178.555 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.75 -47.05 70.34 Favored 'General case' 0 C--O 1.244 0.815 0 C-N-CA 123.244 0.618 . . . . 70.409999999999997 111.419 -178.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -75.78 -57.73 3.7 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 123.315 0.384 . . . . 73.140000000000001 111.064 -177.29 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -105.1 126.94 52.63 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 109.139 -0.689 . . . . 61.32 109.139 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -154.51 177.55 11.06 Favored 'General case' 0 C--O 1.244 0.794 0 C-N-CA 124.103 0.961 . . . . 74.200000000000003 109.183 -176.057 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 . . . . . 0 C--O 1.254 1.297 0 C-N-CA 123.399 0.68 . . . . 64.420000000000002 110.65 176.733 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.085 0 CA-C-O 120.605 0.24 . . . . 64.430000000000007 110.406 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.737 ' HB2' HD12 ' A' ' 5' ' ' ILE . 5.5 p-10 -155.79 24.08 0.39 Allowed 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.479 0.712 . . . . 73.420000000000002 110.507 173.438 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -65.82 -18.69 65.51 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.271 0.628 . . . . 62.43 111.098 177.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -60.46 -49.37 77.85 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.584 0.754 . . . . 74.239999999999995 109.644 172.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.75 HG23 HG23 ' A' ' 31' ' ' ILE . 90.3 mt -58.4 -51.41 71.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 124.949 1.299 . . . . 74.129999999999995 109.763 174.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.41 -37.54 72.9 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-N 114.239 -1.346 . . . . 55.530000000000001 112.029 -178.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.9 tppt? -59.59 -39.52 84.45 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.003 0.921 . . . . 73.340000000000003 110.932 -174.18 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -72.69 -31.45 65.05 Favored 'General case' 0 CA--C 1.55 0.956 0 CA-C-N 115.164 -0.925 . . . . 75.140000000000001 111.115 179.412 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -65.98 -46.1 79.24 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 123.864 0.866 . . . . 74.530000000000001 111.214 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -68.57 -35.17 77.03 Favored 'General case' 0 N--CA 1.486 1.346 0 CA-C-N 116.085 -0.507 . . . . 64.340000000000003 109.88 178.619 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.6 -20.61 62.74 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.521 0.729 . . . . 22.120000000000001 111.573 176.457 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.523 ' HA ' ' HG2' ' A' ' 24' ' ' MET . 2.4 t80 -82.09 112.35 19.06 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 109.35 -0.611 . . . . 75.400000000000006 109.35 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -102.24 21.53 14.82 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 124.386 1.075 . . . . 73.420000000000002 111.755 -176.094 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.445 ' NZ ' ' HB2' ' A' ' 14' ' ' LYS . 7.5 mtmp? 69.71 115.09 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 125.828 1.651 . . . . 75.219999999999999 110.858 -174.224 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.475 ' HB2' ' HB2' ' A' ' 24' ' ' MET . . . -103.48 117.33 34.2 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.25 0.62 . . . . 74.400000000000006 111.2 -175.39 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -122.12 177.98 5.11 Favored 'General case' 0 C--O 1.24 0.565 0 C-N-CA 123.942 0.897 . . . . 72.109999999999999 109.246 171.145 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -77.97 81.06 4.39 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-O 122.238 1.018 . . . . 73.209999999999994 108.297 -176.25 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.447 HD23 ' N ' ' A' ' 19' ' ' ASN . 8.3 tt -164.89 157.85 16.63 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 113.069 -1.878 . . . . 75.5 107.019 -170.739 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.447 ' N ' HD23 ' A' ' 18' ' ' LEU . 42.9 m-80 -70.83 75.99 0.62 Allowed 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.062 0.545 . . . . 60.420000000000002 111.906 -174.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.409 ' H ' ' H ' ' A' ' 21' ' ' GLY . 9.8 pt20 -177.18 -18.99 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 125.493 1.517 . . . . 75.140000000000001 110.206 175.407 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.409 ' H ' ' H ' ' A' ' 20' ' ' GLN . . . -57.86 -34.75 72.43 Favored Glycine 0 C--N 1.356 1.649 0 O-C-N 123.287 0.367 . . . . 60.140000000000001 113.916 -173.384 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -56.1 -31.98 63.76 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 124.769 1.228 . . . . 63.219999999999999 112.765 177.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 60.1 mt -66.76 -23.25 66.06 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.678 0.791 . . . . 73.329999999999998 110.946 -178.493 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.523 ' HG2' ' HA ' ' A' ' 12' ' ' TYR . 27.6 mtm -115.91 -165.19 1.02 Allowed 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.957 1.303 . . . . 72.329999999999998 109.406 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.87 -59.98 4.9 Favored Glycine 0 C--N 1.346 1.13 0 N-CA-C 111.152 -0.779 . . . . 70.450000000000003 111.152 -174.381 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 60.2 ttt180 -53.74 -36.83 62.74 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.6 1.16 . . . . 61.509999999999998 111.09 170.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.415 ' HB3' ' HD2' ' A' ' 12' ' ' TYR . . . -59.74 -52.7 64.36 Favored 'General case' 0 CA--C 1.548 0.869 0 O-C-N 123.796 0.685 . . . . 72.200000000000003 111.17 178.502 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.598 HD23 HD12 ' A' ' 31' ' ' ILE . 24.3 mt -67.01 -32.39 73.58 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 122.457 0.303 . . . . 62.509999999999998 111.577 177.028 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -62.46 -43.27 99.23 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.139 0.576 . . . . 74.319999999999993 109.87 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.504 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 92.9 m-20 -67.13 -35.33 79.5 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 115.521 -0.763 . . . . 73.549999999999997 110.903 178.49 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.75 HG23 HG23 ' A' ' 5' ' ' ILE . 94.5 mt -64.14 -39.81 86.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 C-N-CA 123.527 0.731 . . . . 65.420000000000002 109.575 175.433 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.42 -39.65 97.97 Favored Glycine 0 C--N 1.348 1.239 0 CA-C-N 115.067 -0.97 . . . . 73.430000000000007 112.512 176.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 98.3 mt -63.09 -43.43 98.52 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.498 0.719 . . . . 53.310000000000002 110.449 176.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.504 ' HG2' ' O ' ' A' ' 30' ' ' ASN . 9.4 mm-40 -61.13 -42.91 99.4 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.663 0.785 . . . . 61.299999999999997 111.044 178.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.466 ' HG2' ' HE2' ' A' ' 47' ' ' TYR . 3.0 mptp? -66.31 -45.18 81.25 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.057 0.943 . . . . 61.200000000000003 110.708 178.301 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -61.27 -38.36 86.47 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.695 0.798 . . . . 75.200000000000003 110.36 -178.144 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -62.65 -42.13 99.43 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.494 1.117 . . . . 75.120000000000005 109.625 177.436 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 67.1 mtm -85.06 12.67 7.26 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 123.631 0.772 . . . . 71.299999999999997 112.164 -178.191 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.2 -8.44 60.9 Favored Glycine 0 C--N 1.353 1.503 0 CA-C-O 119.979 -0.345 . . . . 65.439999999999998 113.877 176.197 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 39.1 mttm -77.83 69.0 4.0 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.375 1.07 . . . . 74.409999999999997 109.429 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.467 ' HA ' ' HB3' ' A' ' 44' ' ' ALA . . . -82.05 -17.67 45.89 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.497 0.719 . . . . 73.510000000000005 112.258 -172.791 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -64.94 -53.85 39.96 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 108.913 -0.773 . . . . 64.430000000000007 108.913 169.631 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -63.45 -38.86 92.77 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 114.894 -1.048 . . . . 75.319999999999993 110.453 177.255 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.467 ' HB3' ' HA ' ' A' ' 41' ' ' ALA . . . -57.06 -55.54 33.34 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.225 0.61 . . . . 70.109999999999999 110.797 -178.833 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.2 -32.81 71.44 Favored 'General case' 0 C--N 1.35 0.627 0 O-C-N 124.318 1.011 . . . . 72.109999999999999 111.401 179.309 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 7.5 tm-20 -62.36 -50.02 73.24 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.366 1.066 . . . . 71.310000000000002 110.11 179.224 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.466 ' HE2' ' HG2' ' A' ' 35' ' ' LYS . 61.1 m-85 -72.08 -32.95 67.51 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 122.845 0.458 . . . . 73.109999999999999 111.685 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -64.41 -31.68 72.99 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 123.769 0.668 . . . . 72.540000000000006 110.275 176.206 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.4 ' O ' HG13 ' A' ' 53' ' ' ILE . 28.1 t80 -69.99 -50.56 40.41 Favored 'General case' 0 C--N 1.345 0.376 0 O-C-N 124.162 0.913 . . . . 75.209999999999994 110.734 178.661 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' A' ' 46' ' ' GLU . 77.1 mtp180 -60.15 -40.96 91.66 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.888 0.875 . . . . 53.329999999999998 110.148 179.262 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.93 -42.86 94.32 Favored 'General case' 0 C--N 1.345 0.407 0 CA-C-N 114.552 -1.204 . . . . 62.030000000000001 110.77 177.043 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.96 -38.03 89.44 Favored 'General case' 0 N--CA 1.482 1.166 0 O-C-N 123.986 0.804 . . . . 50.530000000000001 111.051 -177.499 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 49' ' ' PHE . 87.6 mt -57.67 -41.71 79.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 123.982 0.913 . . . . 71.109999999999999 110.607 173.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.4 t -71.65 -43.8 70.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 123.204 0.602 . . . . 75.200000000000003 111.046 -177.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -65.75 -27.77 68.55 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-O 120.988 0.423 . . . . 74.400000000000006 111.075 177.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -74.04 -48.12 32.19 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.568 1.147 . . . . 75.230000000000004 111.719 177.106 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -68.41 -26.45 65.55 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 122.865 0.466 . . . . 70.230000000000004 111.686 178.484 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -85.28 -11.89 53.72 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.36 0.664 . . . . 72.310000000000002 111.145 173.051 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 63.73 21.74 12.8 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.099 1.359 . . . . 65.409999999999997 111.831 177.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -81.86 92.63 6.73 Favored 'General case' 0 C--O 1.238 0.476 0 N-CA-C 108.27 -1.011 . . . . 71.219999999999999 108.27 178.639 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 12.4 p -59.56 -36.19 75.71 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.996 0.918 . . . . 74.140000000000001 112.764 -175.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -60.65 -49.65 76.67 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 123.596 0.56 . . . . 72.109999999999999 110.685 -179.169 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -72.14 -32.67 62.78 Favored Glycine 0 C--N 1.343 0.932 0 O-C-N 124.303 1.002 . . . . 70.209999999999994 112.729 -179.589 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 63.6 tp -71.36 -37.08 71.66 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.694 0.798 . . . . 71.430000000000007 110.507 179.101 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 28.8 ttm-85 -71.95 -34.96 69.41 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.468 1.107 . . . . 75.230000000000004 109.829 176.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 30.0 ttm-85 -71.22 -40.48 71.09 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.161 1.384 . . . . 72.099999999999994 110.474 179.346 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.447 ' O ' ' HB2' ' A' ' 71' ' ' LEU . . . -75.59 -36.56 60.31 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 115.21 -0.905 . . . . 53.539999999999999 110.794 178.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.48 -45.43 87.38 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 123.923 0.765 . . . . 74.150000000000006 110.117 176.399 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.565 ' HA ' ' HE3' ' A' ' 72' ' ' LYS . 37.8 ttmt -55.54 -51.7 66.2 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 124.862 1.352 . . . . 74.0 110.872 178.436 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 37.1 m -73.61 -31.66 63.68 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 115.261 -0.881 . . . . 60.439999999999998 111.635 -176.12 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.447 ' HB2' ' O ' ' A' ' 67' ' ' ALA . 1.6 tt -64.53 -54.71 28.04 Favored 'General case' 0 N--CA 1.485 1.284 0 N-CA-C 108.962 -0.755 . . . . 74.310000000000002 108.962 -179.546 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.565 ' HE3' ' HA ' ' A' ' 69' ' ' LYS . 21.8 pttp -69.83 -34.41 73.62 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 115.43 -0.804 . . . . 74.400000000000006 111.888 -173.337 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.404 ' HG3' ' HG3' ' A' ' 72' ' ' LYS . 48.9 mt-10 -89.61 3.26 53.14 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.412 0.685 . . . . 63.350000000000001 111.28 178.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.465 ' O ' HG13 ' A' ' 78' ' ' ILE . . . -78.85 -27.86 44.19 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 109.709 -0.478 . . . . 65.439999999999998 109.709 165.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.48 HG21 ' HG2' ' A' ' 88' ' ' LYS . 2.0 mp -62.76 -39.74 85.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 C-N-CA 123.544 0.738 . . . . 73.230000000000004 111.004 178.041 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 38.0 p -67.24 -14.66 63.12 Favored 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 122.783 0.433 . . . . 73.0 111.639 177.16 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -100.16 -13.76 18.81 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 124.197 0.999 . . . . 34.439999999999998 111.935 176.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.739 HG21 ' H ' ' A' ' 84' ' ' ARG . 68.8 mt -70.53 138.72 86.24 Favored Pre-proline 0 N--CA 1.492 1.627 0 C-N-CA 123.542 0.737 . . . . 75.420000000000002 110.917 -178.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_exo -52.06 155.69 8.46 Favored 'Trans proline' 0 C--N 1.384 2.417 0 C-N-CA 123.633 2.889 . . . . 74.239999999999995 113.988 168.597 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -87.86 9.34 22.31 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 112.744 0.646 . . . . 65.099999999999994 112.744 -178.489 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -103.17 -69.86 0.78 Allowed 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.637 0.775 . . . . 65.319999999999993 109.868 172.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -90.95 145.93 24.3 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 122.971 0.508 . . . . 71.319999999999993 110.237 -171.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 78.29 -106.89 2.38 Favored Glycine 0 C--N 1.351 1.395 0 C-N-CA 123.419 0.533 . . . . 62.409999999999997 112.468 174.52 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.739 ' H ' HG21 ' A' ' 78' ' ' ILE . 25.4 tpp180 57.93 -86.16 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 125.681 1.592 . . . . 70.329999999999998 111.216 179.298 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -68.42 -41.55 80.22 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.692 1.197 . . . . 75.219999999999999 110.82 -177.041 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -52.71 -52.04 57.85 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 124.313 1.008 . . . . 73.310000000000002 111.028 -177.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -76.71 -25.98 54.19 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.258 -0.883 . . . . 63.329999999999998 112.266 179.476 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.48 ' HG2' HG21 ' A' ' 75' ' ' ILE . 4.8 tmtt? -63.29 -37.37 86.98 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.65 0.78 . . . . 63.25 110.597 -178.293 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -67.76 -32.72 73.51 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 115.015 -0.993 . . . . 72.5 111.275 179.253 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 45.0 mtm -69.62 -35.09 74.94 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.014 0.525 . . . . 64.049999999999997 110.559 176.35 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.68 -38.72 82.29 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 115.249 -0.887 . . . . 72.030000000000001 111.063 176.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.424 ' O ' ' HG2' ' A' ' 96' ' ' GLU . 90.5 mttt -56.58 -46.39 80.83 Favored 'General case' 0 C--N 1.359 1.014 0 O-C-N 124.186 0.929 . . . . 74.019999999999996 110.682 177.088 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 63.1 mmtt -56.37 -51.21 69.16 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 124.395 1.059 . . . . 64.200000000000003 111.311 -178.039 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.59 -36.07 79.63 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 123.898 0.749 . . . . 63.229999999999997 112.603 -176.311 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -73.13 -36.86 66.79 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.677 0.791 . . . . 72.329999999999998 110.669 177.34 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 60.2 mm-40 -69.32 -33.87 73.81 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.28 0.632 . . . . 72.420000000000002 111.024 178.53 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 37.9 m0 -71.22 -38.42 72.01 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 123.206 0.602 . . . . 63.039999999999999 110.439 176.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 44.8 tp -64.26 -39.96 95.01 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.28 0.632 . . . . 61.119999999999997 110.833 177.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -64.95 -44.73 88.48 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.16 0.584 . . . . 74.540000000000006 110.525 173.141 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.13 -34.41 77.54 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.744 0.818 . . . . 61.219999999999999 111.779 -177.194 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -77.94 -50.04 12.96 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.173 0.589 . . . . 70.109999999999999 111.901 -177.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -83.92 173.04 11.54 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 112.764 0.653 . . . . 74.239999999999995 112.764 -172.115 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 35.4 m-80 -75.26 133.02 41.44 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 115.279 -0.873 . . . . 73.049999999999997 110.101 -179.074 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 20.1 m-80 . . . . . 0 N--CA 1.482 1.153 0 C-N-CA 123.931 0.892 . . . . 64.010000000000005 109.075 -179.059 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.941 0 N-CA-C 109.461 -0.57 . . . . 73.450000000000003 109.461 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.2 t70 64.93 33.08 10.16 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 124.217 1.007 . . . . 75.049999999999997 110.185 177.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -66.16 -61.64 1.92 Allowed 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.749 0.819 . . . . 73.439999999999998 112.44 -168.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 55.4 m-20 -62.12 -35.56 79.1 Favored 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 123.261 0.624 . . . . 74.25 110.561 -179.436 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.699 HG23 HG23 ' A' ' 31' ' ' ILE . 42.6 mt -67.73 -47.49 79.63 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 CA-C-N 114.804 -1.089 . . . . 61.409999999999997 111.1 -176.304 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.08 -26.66 67.81 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 123.998 0.811 . . . . 63.329999999999998 110.958 179.051 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -67.18 -52.73 37.8 Favored 'General case' 0 C--N 1.353 0.749 0 O-C-N 123.493 0.496 . . . . 62.130000000000003 110.308 172.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -63.07 -34.44 77.59 Favored 'General case' 0 N--CA 1.493 1.692 0 C-N-CA 123.08 0.552 . . . . 74.430000000000007 111.435 -179.597 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -69.51 -51.69 33.45 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.702 1.201 . . . . 71.519999999999996 109.349 -178.109 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.9 tmtt? -69.27 -27.52 65.49 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 124.078 0.951 . . . . 75.040000000000006 110.589 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.57 -27.6 60.56 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.439 0.695 . . . . 65.219999999999999 111.45 179.42 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.504 ' CE2' ' HG ' ' A' ' 28' ' ' LEU . 3.3 t80 -56.91 119.67 6.64 Favored 'General case' 0 C--N 1.357 0.924 0 N-CA-C 108.083 -1.08 . . . . 63.420000000000002 108.083 174.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.499 ' HG2' ' HG2' ' A' ' 14' ' ' LYS . 60.7 tttp -83.17 -86.41 0.11 Allowed 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 109.439 -0.578 . . . . 75.5 109.439 -174.023 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.499 ' HG2' ' HG2' ' A' ' 13' ' ' LYS . 17.9 ptmt -177.48 131.75 0.16 Allowed 'General case' 0 C--N 1.349 0.583 0 C-N-CA 124.365 1.066 . . . . 60.240000000000002 108.521 -178.73 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.452 ' HB2' ' HB2' ' A' ' 24' ' ' MET . . . -115.86 -35.8 4.36 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.031 0.532 . . . . 62.240000000000002 112.147 -169.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -74.58 -24.79 58.96 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.444 0.698 . . . . 72.25 111.598 -172.478 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -90.16 -16.7 29.01 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 122.446 0.298 . . . . 65.420000000000002 110.67 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.5 mt -100.05 159.25 15.24 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.407 0.683 . . . . 65.099999999999994 110.661 -179.243 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -69.24 -22.35 63.86 Favored 'General case' 0 CA--C 1.554 1.12 0 CA-C-N 114.949 -1.023 . . . . 64.109999999999999 109.797 170.26 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -98.9 104.93 17.02 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.262 1.025 . . . . 64.109999999999999 110.243 -178.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -99.59 -25.34 9.33 Favored Glycine 0 N--CA 1.468 0.776 0 N-CA-C 110.988 -0.845 . . . . 72.230000000000004 110.988 166.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -50.6 -33.44 22.15 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 125.972 1.709 . . . . 75.450000000000003 113.872 -177.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 82.5 mt -72.52 -49.94 29.31 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.619 0.768 . . . . 64.340000000000003 110.401 -178.049 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.452 ' HB2' ' HB2' ' A' ' 15' ' ' ALA . 3.5 mpp? -87.34 177.21 7.2 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 115.013 -0.994 . . . . 63.439999999999998 110.251 178.828 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.39 -43.58 2.92 Favored Glycine 0 N--CA 1.481 1.684 0 N-CA-C 111.241 -0.744 . . . . 64.310000000000002 111.241 -172.022 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.2 ttm-85 -56.73 -39.01 73.16 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.255 1.422 . . . . 61.240000000000002 110.204 170.192 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.404 ' O ' HG13 ' A' ' 31' ' ' ILE . . . -64.72 -44.29 90.68 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 114.916 -1.038 . . . . 72.439999999999998 110.782 174.453 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.514 ' HA ' HD12 ' A' ' 31' ' ' ILE . 37.8 mt -57.45 -41.05 79.77 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.566 0.746 . . . . 72.239999999999995 111.142 176.781 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.448 ' OH ' ' HD2' ' A' ' 66' ' ' ARG . 44.4 t80 -61.95 -42.18 98.83 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-N 115.725 -0.67 . . . . 70.109999999999999 110.873 -179.042 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -63.95 -40.04 95.52 Favored 'General case' 0 N--CA 1.482 1.145 0 O-C-N 123.64 0.588 . . . . 75.049999999999997 110.972 177.589 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.699 HG23 HG23 ' A' ' 5' ' ' ILE . 89.0 mt -59.28 -43.21 89.4 Favored 'Isoleucine or valine' 0 C--N 1.355 0.845 0 C-N-CA 123.756 0.823 . . . . 71.5 109.698 176.651 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -61.88 -46.13 94.77 Favored Glycine 0 C--N 1.347 1.156 0 CA-C-N 115.168 -0.924 . . . . 71.120000000000005 113.09 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.4 mt -58.37 -38.28 76.94 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.285 0.634 . . . . 74.439999999999998 110.472 177.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -73.11 -33.01 65.3 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 124.156 0.982 . . . . 74.329999999999998 112.356 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.569 ' HE2' HG21 ' A' ' 5' ' ' ILE . 71.5 mmtt -69.33 -45.73 68.76 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.104 0.562 . . . . 74.409999999999997 110.102 176.76 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -61.63 -35.32 77.57 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.48 1.112 . . . . 63.100000000000001 109.709 177.432 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.4 tmmm? -62.64 -36.87 84.23 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.86 1.264 . . . . 63.130000000000003 111.634 179.149 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 57.4 mtm -81.71 -18.8 43.11 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 123.027 0.531 . . . . 72.319999999999993 111.766 178.465 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 116.94 -25.94 8.62 Favored Glycine 0 C--N 1.343 0.924 0 CA-C-O 119.702 -0.499 . . . . 72.310000000000002 112.295 -178.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -76.33 74.12 3.11 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-O 122.113 0.959 . . . . 74.549999999999997 110.565 179.117 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.416 ' HA ' ' HB3' ' A' ' 44' ' ' ALA . . . -82.66 -6.39 59.35 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 114.468 -1.242 . . . . 51.539999999999999 111.688 -174.606 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 -72.88 -47.67 44.01 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.019 0.527 . . . . 63.329999999999998 110.494 173.346 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -60.12 -44.62 94.76 Favored 'General case' 0 C--N 1.355 0.837 0 O-C-N 123.742 0.651 . . . . 60.030000000000001 109.379 172.021 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.416 ' HB3' ' HA ' ' A' ' 41' ' ' ALA . . . -53.54 -47.64 69.81 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 124.33 1.019 . . . . 74.219999999999999 111.799 178.129 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.71 -38.08 77.53 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 124.623 1.202 . . . . 74.439999999999998 111.251 -178.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -64.65 -50.46 67.01 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 123.813 0.696 . . . . 72.439999999999998 110.667 175.549 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.418 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 62.6 m-85 -63.61 -32.01 73.36 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 122.84 0.456 . . . . 73.230000000000004 112.043 -177.006 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.438 ' HE2' ' HB2' ' A' ' 74' ' ' ALA . 21.4 m-85 -69.66 -42.54 74.08 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 123.57 0.544 . . . . 75.340000000000003 110.157 175.034 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -66.91 -46.99 73.15 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 115.487 -0.779 . . . . 64.329999999999998 111.524 -177.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.436 ' O ' HG23 ' A' ' 54' ' ' VAL . 60.4 mtp85 -72.9 -31.95 65.02 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.751 0.821 . . . . 73.510000000000005 110.208 -176.17 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.71 -47.0 85.49 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 109.18 -0.674 . . . . 75.129999999999995 109.18 170.08 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.27 -32.96 71.66 Favored 'General case' 0 N--CA 1.48 1.038 0 O-C-N 124.157 0.911 . . . . 55.439999999999998 111.658 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.523 HG22 ' HE2' ' A' ' 57' ' ' LYS . 97.6 mt -67.05 -48.92 77.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 123.552 0.741 . . . . 74.310000000000002 110.346 175.259 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 50' ' ' ARG . 75.0 t -60.8 -42.33 91.94 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 C-N-CA 122.906 0.482 . . . . 60.049999999999997 110.482 179.745 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -67.94 -36.36 79.99 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.311 0.644 . . . . 73.209999999999994 111.592 178.203 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -67.39 -39.92 85.63 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 123.34 0.4 . . . . 61.439999999999998 110.929 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.523 ' HE2' HG22 ' A' ' 53' ' ' ILE . 67.7 mttm -54.89 -43.53 73.28 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.823 0.849 . . . . 70.209999999999994 111.515 170.2 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -82.04 -8.45 59.66 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 115.818 -0.628 . . . . 71.430000000000007 111.143 178.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 60.22 25.18 14.56 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 125.561 1.545 . . . . 73.420000000000002 111.616 -179.205 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -80.04 92.58 5.62 Favored 'General case' 0 C--O 1.245 0.836 0 CA-C-N 114.6 -1.182 . . . . 71.420000000000002 108.228 177.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 16.5 p -63.31 -26.98 69.01 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 114.96 -1.018 . . . . 44.32 113.026 -174.179 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -69.41 -45.43 69.24 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 123.724 0.64 . . . . 74.5 110.636 -177.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -71.02 -39.53 63.24 Favored Glycine 0 C--N 1.343 0.945 0 CA-C-N 115.847 -0.615 . . . . 72.099999999999994 112.298 178.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 65.6 tp -59.57 -43.38 93.61 Favored 'General case' 0 CA--C 1.554 1.101 0 C-N-CA 124.323 1.049 . . . . 72.400000000000006 110.569 174.57 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -66.42 -42.95 86.98 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 125.296 1.439 . . . . 73.409999999999997 110.871 178.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.448 ' HD2' ' OH ' ' A' ' 29' ' ' TYR . 0.2 OUTLIER -65.0 -42.69 94.25 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.128 0.971 . . . . 73.239999999999995 110.174 -178.693 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.403 ' HB1' ' O ' ' A' ' 48' ' ' PHE . . . -71.29 -41.23 70.25 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.153 0.981 . . . . 70.120000000000005 111.138 -177.61 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.43 -39.99 89.24 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.855 0.862 . . . . 52.450000000000003 111.296 178.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.9 tmtt? -61.24 -46.31 90.92 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.466 1.106 . . . . 72.420000000000002 110.032 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 43.5 m -76.15 -29.25 57.69 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 123.368 0.667 . . . . 71.439999999999998 112.35 179.119 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.506 HD22 ' HB2' ' A' ' 91' ' ' ALA . 1.2 tt -59.51 -52.34 65.97 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 123.763 0.825 . . . . 74.219999999999999 110.001 -176.101 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.468 ' HA ' HD12 ' A' ' 75' ' ' ILE . 14.4 ptmm? -61.87 -36.94 82.73 Favored 'General case' 0 CA--C 1.552 1.02 0 CA-C-N 115.242 -0.89 . . . . 74.230000000000004 111.827 -177.541 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -77.16 -23.72 51.59 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.775 0.83 . . . . 74.340000000000003 111.119 -178.272 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.438 ' HB2' ' HE2' ' A' ' 48' ' ' PHE . . . -69.15 -38.84 78.99 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.81 -0.632 . . . . 73.010000000000005 110.428 172.621 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.742 HD13 ' HA ' ' A' ' 88' ' ' LYS . 58.0 mt -65.32 -41.8 92.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 123.697 0.799 . . . . 52.450000000000003 111.745 -175.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 6.2 p -70.66 -14.76 62.59 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 115.813 -0.631 . . . . 72.420000000000002 111.696 175.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -99.69 -10.71 21.61 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 123.825 0.85 . . . . 60.350000000000001 112.304 176.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 74' ' ' ALA . 65.5 mt -62.35 118.73 43.2 Favored Pre-proline 0 N--CA 1.492 1.656 0 C-N-CA 122.933 0.493 . . . . 62.219999999999999 111.228 -178.37 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -81.75 166.01 17.54 Favored 'Trans proline' 0 C--N 1.368 1.603 0 C-N-CA 122.381 2.054 . . . . 73.25 110.302 169.296 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 62.95 101.23 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.127 0.971 . . . . 70.310000000000002 110.896 178.641 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -69.72 -6.38 31.43 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.667 0.787 . . . . 52.229999999999997 111.948 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -50.04 -41.07 46.94 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.624 1.17 . . . . 71.239999999999995 109.681 164.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -90.45 -103.46 1.21 Allowed Glycine 0 C--N 1.348 1.238 0 CA-C-N 115.391 -0.822 . . . . 63.43 112.139 170.192 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 22.7 tpp180 56.85 -83.07 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 125.662 1.585 . . . . 74.239999999999995 112.752 179.353 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.443 ' O ' ' HG2' ' A' ' 89' ' ' GLU . 63.7 tttp -65.01 -36.11 83.34 Favored 'General case' 0 C--N 1.359 0.986 0 C-N-CA 123.745 0.818 . . . . 62.140000000000001 112.712 -168.085 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 87' ' ' ALA . 8.4 pt-20 -51.71 -45.99 63.76 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 123.154 0.582 . . . . 74.319999999999993 111.092 178.484 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.419 ' N ' ' HG3' ' A' ' 86' ' ' GLU . . . -78.82 -27.14 44.28 Favored 'General case' 0 C--O 1.242 0.677 0 C-N-CA 124.283 1.033 . . . . 60.539999999999999 111.866 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.742 ' HA ' HD13 ' A' ' 75' ' ' ILE . 13.2 tmtt? -62.67 -47.59 83.02 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 123.62 0.768 . . . . 75.140000000000001 109.886 -179.087 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' A' ' 85' ' ' LYS . 9.2 mm-40 -57.51 -28.76 63.74 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 124.0 0.92 . . . . 74.25 112.252 -177.122 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 37.8 mtm -71.34 -35.28 71.11 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.573 0.749 . . . . 62.200000000000003 111.872 -178.572 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.506 ' HB2' HD22 ' A' ' 71' ' ' LEU . . . -63.67 -28.43 69.9 Favored 'General case' 0 N--CA 1.482 1.136 0 CA-C-O 119.549 -0.262 . . . . 51.299999999999997 111.477 178.55 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.498 ' O ' ' HG2' ' A' ' 96' ' ' GLU . 86.6 tttt -57.64 -48.8 78.46 Favored 'General case' 0 C--N 1.357 0.907 0 O-C-N 124.235 0.96 . . . . 74.310000000000002 109.154 173.511 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -61.74 -49.72 75.26 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 124.222 0.951 . . . . 62.310000000000002 111.29 -177.294 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.77 -32.53 70.68 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.2 0.6 . . . . 60.219999999999999 111.279 178.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.72 -40.19 56.03 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 123.56 0.744 . . . . 71.530000000000001 110.127 178.309 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.498 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 13.3 mm-40 -67.08 -35.81 80.64 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.498 0.719 . . . . 74.140000000000001 110.607 -179.737 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 40.8 m0 -67.5 -38.88 84.97 Favored 'General case' 0 C--N 1.347 0.473 0 CA-C-N 115.83 -0.623 . . . . 72.319999999999993 109.763 177.226 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 29.0 tp -63.68 -42.27 98.04 Favored 'General case' 0 CA--C 1.548 0.87 0 O-C-N 123.67 0.607 . . . . 53.340000000000003 110.332 176.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -64.89 -37.75 88.68 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.406 0.683 . . . . 73.319999999999993 111.502 176.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.84 -45.71 64.02 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.541 0.736 . . . . 62.329999999999998 110.804 -177.285 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -69.13 -32.43 71.8 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 115.131 -0.94 . . . . 64.510000000000005 110.905 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -85.46 65.95 9.44 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-O 121.583 0.706 . . . . 73.129999999999995 109.464 173.059 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -97.69 113.94 25.81 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.84 0.856 . . . . 41.520000000000003 109.599 178.39 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 6.6 p30 . . . . . 0 C--O 1.249 1.041 0 C-N-CA 123.19 0.596 . . . . 71.140000000000001 110.176 178.145 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.081 0 CA-C-O 120.617 0.246 . . . . 71.140000000000001 110.549 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -83.25 142.2 31.3 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.457 0.703 . . . . 73.129999999999995 110.44 176.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -155.77 -66.16 0.12 Allowed 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.22 0.608 . . . . 52.420000000000002 109.484 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 34.0 m-20 -65.13 -24.08 67.31 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.942 0.897 . . . . 71.409999999999997 111.069 -178.647 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.597 HG23 HG23 ' A' ' 31' ' ' ILE . 25.1 mt -58.82 -43.72 88.81 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 C-N-CA 124.351 1.06 . . . . 71.219999999999999 110.946 -179.349 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.35 -37.62 78.31 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.441 0.696 . . . . 63.140000000000001 111.021 178.67 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -62.71 -52.91 61.41 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.677 0.61 . . . . 73.430000000000007 110.401 176.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -66.3 -38.63 88.18 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 112.825 0.676 . . . . 74.140000000000001 112.825 -173.411 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -72.46 -17.04 61.8 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.023 0.529 . . . . 52.520000000000003 111.935 -179.411 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -104.65 -16.9 14.85 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.198 0.599 . . . . 72.319999999999993 110.884 175.557 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -85.23 -23.91 28.04 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.643 0.777 . . . . 73.510000000000005 110.46 176.514 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.675 ' HE2' ' HG ' ' A' ' 28' ' ' LEU . 14.3 t80 -128.44 150.5 50.11 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.615 -0.72 . . . . 74.099999999999994 110.034 -178.755 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.3 mtmp? -123.0 -159.76 0.86 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.952 1.301 . . . . 75.0 107.7 -179.602 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -87.96 139.78 30.17 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 109.584 -0.524 . . . . 64.329999999999998 109.584 177.062 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.475 ' HB2' ' OH ' ' A' ' 12' ' ' TYR . . . -83.23 1.39 41.0 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 113.433 0.901 . . . . 70.340000000000003 113.433 -174.729 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -75.46 -21.94 57.69 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.145 0.578 . . . . 74.530000000000001 111.288 177.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -58.9 -53.18 61.25 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.946 0.898 . . . . 61.329999999999998 110.9 -174.212 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.3 mt -120.52 129.81 53.98 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-N 114.674 -1.148 . . . . 51.009999999999998 108.743 -179.363 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -75.21 85.58 2.42 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 123.749 0.82 . . . . 63.009999999999998 109.317 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -168.89 47.9 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.632 1.173 . . . . 71.549999999999997 109.778 -173.167 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.63 -18.1 50.91 Favored Glycine 0 CA--C 1.533 1.157 0 CA-C-N 115.549 -0.75 . . . . 43.43 114.701 -175.179 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.553 ' HG3' ' HG ' ' A' ' 23' ' ' LEU . 9.0 pt-20 -55.42 -37.59 67.86 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 124.638 1.175 . . . . 73.319999999999993 112.666 174.102 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.553 ' HG ' ' HG3' ' A' ' 22' ' ' GLU . 81.4 mt -84.69 -8.06 59.0 Favored 'General case' 0 C--O 1.241 0.635 0 C-N-CA 123.653 0.781 . . . . 72.439999999999998 111.902 -173.057 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.443 ' HB2' ' CE1' ' A' ' 12' ' ' TYR . 18.8 ptp -145.75 -162.41 1.51 Allowed 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 112.141 0.423 . . . . 74.219999999999999 112.141 -170.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.59 -46.24 2.55 Favored Glycine 0 C--N 1.364 2.123 0 C-N-CA 122.753 0.215 . . . . 65.209999999999994 112.816 179.037 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 70.4 mtt180 -60.19 -25.93 65.96 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.643 1.177 . . . . 71.150000000000006 111.917 -177.476 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.43 ' O ' HG13 ' A' ' 31' ' ' ILE . . . -68.03 -36.35 79.78 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 122.777 0.431 . . . . 74.109999999999999 111.777 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.675 ' HG ' ' HE2' ' A' ' 12' ' ' TYR . 41.7 mt -61.04 -45.37 95.04 Favored 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 109.943 -0.392 . . . . 72.120000000000005 109.943 173.028 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -53.59 -38.02 63.52 Favored 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 124.109 0.963 . . . . 71.129999999999995 110.863 178.616 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -65.19 -41.86 94.17 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.609 0.763 . . . . 72.0 111.273 176.571 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.597 HG23 HG23 ' A' ' 5' ' ' ILE . 22.3 mt -64.99 -33.48 64.0 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 C-N-CA 123.466 0.707 . . . . 71.219999999999999 109.835 178.504 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.417 ' HA2' ' HA ' ' A' ' 44' ' ' ALA . . . -61.95 -47.24 91.35 Favored Glycine 0 C--N 1.353 1.495 0 CA-C-N 115.113 -0.949 . . . . 63.149999999999999 111.998 175.259 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.0 mt -58.87 -36.72 75.09 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.721 0.808 . . . . 52.030000000000001 111.371 176.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -69.93 -44.91 68.62 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.612 0.765 . . . . 75.420000000000002 112.014 -178.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.491 ' HD2' ' HE2' ' A' ' 47' ' ' TYR . 48.2 mttp -72.57 -27.68 62.34 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 122.544 0.338 . . . . 70.420000000000002 111.809 179.513 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -66.09 -28.42 68.81 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.443 0.697 . . . . 73.329999999999998 111.037 178.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -64.49 -33.17 75.26 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.84 0.856 . . . . 75.530000000000001 111.113 176.191 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 70.0 mtm -82.09 1.9 33.79 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.608 0.763 . . . . 55.100000000000001 111.469 177.443 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.94 4.27 90.33 Favored Glycine 0 C--N 1.349 1.275 0 C-N-CA 123.062 0.363 . . . . 62.420000000000002 112.706 -177.023 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -84.94 73.57 10.65 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-O 121.58 0.705 . . . . 61.340000000000003 109.124 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.21 -23.24 57.58 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 114.508 -1.224 . . . . 75.409999999999997 111.448 -177.696 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.608 ' HG3' ' HA3' ' A' ' 83' ' ' GLY . 2.5 tmm_? -72.18 -50.14 29.98 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 108.868 -0.79 . . . . 75.25 108.868 176.709 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.3 mp0 -64.01 -34.17 77.4 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 114.321 -1.309 . . . . 65.049999999999997 109.535 178.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.417 ' HA ' ' HA2' ' A' ' 32' ' ' GLY . . . -65.37 -43.48 90.6 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.963 0.905 . . . . 61.530000000000001 110.865 172.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.31 -30.29 71.34 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.137 0.975 . . . . 70.209999999999994 111.409 -178.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -56.97 -47.89 79.68 Favored 'General case' 0 C--N 1.353 0.723 0 O-C-N 123.954 0.784 . . . . 74.340000000000003 110.412 173.042 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.491 ' HE2' ' HD2' ' A' ' 35' ' ' LYS . 65.9 m-85 -74.09 -32.87 63.43 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.574 -0.739 . . . . 73.219999999999999 112.285 -176.664 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -69.77 -32.39 70.87 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 123.562 0.539 . . . . 74.25 110.623 175.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -75.59 -49.98 16.94 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.719 0.808 . . . . 75.209999999999994 111.648 178.679 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.487 ' O ' HG23 ' A' ' 54' ' ' VAL . 80.0 mtt-85 -71.52 -29.23 64.54 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 115.624 -0.716 . . . . 74.25 110.276 -175.065 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.14 -41.81 76.81 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 109.636 -0.505 . . . . 63.25 109.636 168.291 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.3 -31.67 71.51 Favored 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 123.372 0.669 . . . . 75.239999999999995 111.714 178.167 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 93.1 mt -62.81 -48.83 86.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 123.854 0.861 . . . . 64.150000000000006 109.663 172.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 50' ' ' ARG . 52.5 t -60.44 -42.73 92.18 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 C-N-CA 123.299 0.64 . . . . 63.229999999999997 110.708 -179.08 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -67.98 -41.69 81.95 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 115.344 -0.844 . . . . 73.209999999999994 110.774 179.609 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -65.89 -47.09 76.01 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.665 0.786 . . . . 71.420000000000002 111.749 -178.123 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -55.1 -37.38 66.76 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.515 0.726 . . . . 63.329999999999998 110.997 174.056 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -87.9 -10.69 49.91 Favored 'General case' 0 CA--C 1.551 0.987 0 CA-C-N 115.781 -0.645 . . . . 72.420000000000002 111.473 -178.261 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 70.05 37.43 1.71 Allowed 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 125.354 1.462 . . . . 75.519999999999996 113.236 176.62 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -80.09 103.54 10.04 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.086 0.954 . . . . 52.130000000000003 109.044 168.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.411 HG22 ' HB3' ' A' ' 101' ' ' GLU . 2.3 p -62.43 -48.39 79.88 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 122.775 0.43 . . . . 74.040000000000006 111.248 173.465 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -69.68 -36.81 76.31 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 123.99 0.806 . . . . 73.310000000000002 111.308 -177.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -65.58 -50.78 52.76 Favored Glycine 0 C--N 1.353 1.497 0 O-C-N 123.466 0.479 . . . . 73.209999999999994 112.242 176.277 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 65.2 tp -60.26 -39.98 88.72 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.449 1.1 . . . . 74.430000000000007 110.779 177.121 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.7 ttt180 -62.07 -46.0 91.06 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.576 1.15 . . . . 61.25 110.958 177.344 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.43 -43.53 80.95 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 115.915 -0.584 . . . . 54.350000000000001 110.002 -176.468 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.406 ' O ' ' HB2' ' A' ' 71' ' ' LEU . . . -70.13 -36.32 74.69 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.719 0.808 . . . . 71.5 111.393 -179.278 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -73.27 -38.16 66.02 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.697 0.799 . . . . 64.349999999999994 111.202 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.41 ' O ' ' HG2' ' A' ' 73' ' ' GLU . 64.3 tttt -71.54 -40.78 69.83 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 115.754 -0.657 . . . . 73.019999999999996 110.073 -178.793 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 40.6 m -68.55 -30.36 69.13 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.7 0.8 . . . . 70.109999999999999 111.16 174.238 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.493 ' O ' HG12 ' A' ' 75' ' ' ILE . 0.6 OUTLIER -62.09 -43.95 97.72 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 115.384 -0.825 . . . . 71.5 108.818 175.147 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -65.75 -38.74 89.93 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.75 0.82 . . . . 75.450000000000003 111.455 178.166 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' A' ' 69' ' ' LYS . 12.4 mm-40 -62.01 -31.65 72.05 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.114 0.565 . . . . 73.019999999999996 110.739 174.631 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.482 ' O ' HG13 ' A' ' 78' ' ' ILE . . . -72.25 -43.41 64.38 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 115.738 -0.664 . . . . 74.049999999999997 110.527 174.203 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.501 ' HA ' HD12 ' A' ' 78' ' ' ILE . 32.8 mm -59.78 -44.19 93.38 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.051 0 C-N-CA 123.398 0.679 . . . . 55.109999999999999 111.264 -174.79 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 22.3 p -67.83 -14.29 62.83 Favored 'General case' 0 CA--C 1.551 1.004 0 CA-C-N 115.656 -0.702 . . . . 73.099999999999994 112.152 -179.428 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -104.83 -12.46 16.27 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.934 0.894 . . . . 71.510000000000005 112.093 174.523 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.501 HD12 ' HA ' ' A' ' 75' ' ' ILE . 92.6 mt -72.54 132.6 83.49 Favored Pre-proline 0 N--CA 1.484 1.246 0 C-N-CA 123.396 0.678 . . . . 72.310000000000002 109.321 173.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.462 ' HG2' ' HB2' ' A' ' 82' ' ' GLU . 31.8 Cg_endo -61.65 154.58 59.14 Favored 'Trans proline' 0 C--N 1.375 1.937 0 C-N-CA 122.751 2.301 . . . . 64.540000000000006 111.015 173.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -70.97 -0.25 8.91 Favored 'General case' 0 CA--C 1.567 1.618 0 N-CA-C 112.707 0.632 . . . . 64.400000000000006 112.707 -171.68 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -120.4 -62.2 1.49 Allowed 'General case' 0 N--CA 1.484 1.245 0 O-C-N 121.294 -0.879 . . . . 62.310000000000002 112.078 175.139 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.462 ' HB2' ' HG2' ' A' ' 79' ' ' PRO . 35.9 mm-40 -63.08 99.19 0.16 Allowed 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.093 0.557 . . . . 75.150000000000006 112.328 -171.523 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.608 ' HA3' ' HG3' ' A' ' 42' ' ' ARG . . . 65.24 19.23 66.04 Favored Glycine 0 C--N 1.356 1.661 0 CA-C-N 115.216 -0.902 . . . . 70.120000000000005 113.965 179.519 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 23.3 tpt180 -72.17 -54.42 9.75 Favored 'General case' 0 C--O 1.225 -0.198 0 N-CA-C 107.561 -1.274 . . . . 75.099999999999994 107.561 173.123 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -76.0 69.84 2.64 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 108.133 -1.062 . . . . 74.310000000000002 108.133 170.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 177.43 -77.97 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.182 1.393 . . . . 71.019999999999996 108.505 -173.519 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.455 ' HA ' ' HE2' ' A' ' 90' ' ' MET . . . -72.85 -28.54 62.59 Favored 'General case' 0 C--N 1.35 0.627 0 C-N-CA 123.738 0.815 . . . . 71.209999999999994 112.252 -172.293 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -65.01 -38.99 92.75 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.879 0.872 . . . . 71.310000000000002 109.588 178.516 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.8 mp0 -73.85 -30.65 62.78 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 114.936 -1.029 . . . . 72.129999999999995 110.543 176.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.455 ' HE2' ' HA ' ' A' ' 87' ' ' ALA . 32.8 mtm -67.66 -34.81 77.68 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.018 0.527 . . . . 74.329999999999998 110.776 173.614 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.488 ' HA ' HD13 ' A' ' 71' ' ' LEU . . . -66.34 -34.67 78.5 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.42 0.688 . . . . 22.34 110.308 174.732 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.545 ' O ' ' HG2' ' A' ' 96' ' ' GLU . 18.7 mmtt -70.3 -37.34 74.76 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-N 114.928 -1.033 . . . . 71.129999999999995 110.899 174.677 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.614 ' HE2' ' HA ' ' A' ' 93' ' ' LYS . 8.8 mmpt? -58.27 -52.7 64.47 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 122.773 0.429 . . . . 61.530000000000001 110.681 178.361 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.04 -30.06 71.3 Favored 'General case' 0 CA--C 1.546 0.815 0 O-C-N 124.271 0.982 . . . . 61.210000000000001 111.806 179.422 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.438 ' O ' ' HG3' ' A' ' 99' ' ' GLN . 4.4 tm-20 -71.36 -44.09 65.69 Favored 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 123.965 0.906 . . . . 70.040000000000006 110.096 178.181 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.545 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 28.5 mm-40 -63.68 -41.01 98.21 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.76 0.824 . . . . 61.020000000000003 111.021 177.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 52.1 m0 -61.77 -45.23 94.8 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.054 -0.976 . . . . 65.140000000000001 110.313 178.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 34.5 tp -60.61 -32.67 71.8 Favored 'General case' 0 CA--C 1.547 0.843 0 O-C-N 124.176 0.923 . . . . 73.109999999999999 111.345 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.438 ' HG3' ' O ' ' A' ' 95' ' ' GLU . 26.1 mt-30 -64.44 -48.96 73.36 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.04 0.536 . . . . 75.420000000000002 110.498 176.028 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.05 -29.68 68.71 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 115.836 -0.62 . . . . 75.25 111.656 -178.137 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.411 ' HB3' HG22 ' A' ' 61' ' ' THR . 36.8 mm-40 -71.87 -13.74 61.75 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.781 0.833 . . . . 65.049999999999997 112.318 178.565 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -157.96 75.7 0.77 Allowed 'General case' 0 N--CA 1.474 0.768 0 CA-C-O 121.756 0.789 . . . . 31.239999999999998 109.562 175.63 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -113.57 144.65 42.52 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.405 0.682 . . . . 70.120000000000005 110.033 -176.431 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 55.1 m-80 . . . . . 0 CA--C 1.545 0.773 0 N-CA-C 108.67 -0.863 . . . . 73.230000000000004 108.67 174.052 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.18 0 CA-C-O 121.077 0.465 . . . . 54.109999999999999 110.802 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -78.2 12.38 1.91 Allowed 'General case' 0 CA--C 1.559 1.297 0 C-N-CA 124.199 1.0 . . . . 74.109999999999999 112.676 -178.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -51.26 -47.63 62.41 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.938 1.295 . . . . 75.409999999999997 111.799 178.058 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -69.24 -39.56 78.41 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 115.177 -0.92 . . . . 72.230000000000004 110.454 -177.504 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.482 HG23 HG23 ' A' ' 31' ' ' ILE . 66.4 mt -56.26 -45.49 81.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 124.195 0.998 . . . . 74.510000000000005 110.784 179.21 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.51 -40.0 71.22 Favored 'General case' 0 C--N 1.353 0.731 0 O-C-N 124.303 1.002 . . . . 73.439999999999998 111.528 -179.656 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -65.88 -47.69 74.0 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.386 0.675 . . . . 60.130000000000003 111.018 178.45 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -68.2 -28.33 67.17 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.206 0.603 . . . . 71.129999999999995 111.8 -173.668 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -73.46 -38.88 65.3 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.111 0.564 . . . . 73.230000000000004 110.793 177.069 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -70.66 -30.46 67.07 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.103 0.561 . . . . 75.329999999999998 110.357 176.005 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.87 -34.71 66.91 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.523 0.729 . . . . 61.409999999999997 110.03 174.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.567 ' CE2' ' HG ' ' A' ' 28' ' ' LEU . 0.6 OUTLIER -91.63 57.71 3.33 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 108.023 -1.102 . . . . 53.219999999999999 108.023 177.224 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.6 ttpm? -93.95 102.57 14.67 Favored 'General case' 0 C--O 1.248 1.017 0 N-CA-C 108.722 -0.844 . . . . 64.329999999999998 108.722 -176.147 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.7 tttm 64.81 21.05 12.29 Favored 'General case' 0 CA--C 1.553 1.076 0 O-C-N 124.162 0.914 . . . . 74.340000000000003 110.816 170.066 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.506 ' HB1' ' HE2' ' A' ' 24' ' ' MET . . . -84.95 67.67 10.26 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.426 1.09 . . . . 70.219999999999999 109.534 -176.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -139.5 12.34 2.54 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.939 0.896 . . . . 75.230000000000004 109.745 -175.197 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -134.21 177.02 8.08 Favored 'General case' 0 C--O 1.246 0.911 0 C-N-CA 123.396 0.678 . . . . 73.099999999999994 111.652 -168.603 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 72.15 13.67 5.74 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 125.104 1.362 . . . . 64.530000000000001 111.504 167.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 51.96 68.06 0.87 Allowed 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.467 1.107 . . . . 54.32 109.973 -172.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -129.56 158.19 39.97 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-N 114.984 -1.007 . . . . 71.019999999999996 108.944 -178.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -154.88 -36.83 0.02 OUTLIER Glycine 0 C--N 1.338 0.645 0 O-C-N 123.68 0.612 . . . . 55.240000000000002 113.455 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -61.17 -36.08 78.84 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.078 0.551 . . . . 65.430000000000007 111.027 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.7 mt -75.68 -4.4 40.08 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 112.935 0.717 . . . . 75.439999999999998 112.935 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.506 ' HE2' ' HB1' ' A' ' 15' ' ' ALA . 9.5 ptp -143.08 -170.75 3.32 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.572 0.749 . . . . 74.420000000000002 110.096 -174.045 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.04 -55.94 3.94 Favored Glycine 0 C--N 1.348 1.247 0 C-N-CA 123.096 0.379 . . . . 60.439999999999998 113.321 -177.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 62.5 mtp180 -55.06 -42.14 72.37 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.785 1.234 . . . . 70.519999999999996 111.383 178.452 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.405 ' HB3' ' HD2' ' A' ' 12' ' ' TYR . . . -60.52 -41.27 94.05 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 123.958 0.786 . . . . 74.530000000000001 111.063 178.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.567 ' HG ' ' CE2' ' A' ' 12' ' ' TYR . 54.1 mt -62.44 -48.35 80.06 Favored 'General case' 0 N--CA 1.484 1.226 0 O-C-N 123.634 0.584 . . . . 62.109999999999999 110.559 175.33 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -50.86 -45.08 59.68 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.586 1.154 . . . . 75.329999999999998 111.624 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 -65.08 -36.72 85.23 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.178 0.591 . . . . 63.450000000000003 111.785 179.554 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.482 HG23 HG23 ' A' ' 5' ' ' ILE . 67.3 mt -65.01 -37.05 79.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 122.861 0.464 . . . . 55.399999999999999 109.917 174.517 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -61.27 -42.11 99.69 Favored Glycine 0 C--N 1.349 1.294 0 CA-C-N 115.257 -0.883 . . . . 55.340000000000003 112.223 178.547 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 88.8 mt -57.94 -47.17 83.69 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.278 0.631 . . . . 35.509999999999998 110.134 176.595 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -57.61 -44.05 85.18 Favored 'General case' 0 CA--C 1.547 0.836 0 O-C-N 124.499 1.124 . . . . 53.210000000000001 111.858 177.57 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 44.6 mmtm -63.88 -46.68 83.83 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.458 0.703 . . . . 75.510000000000005 110.869 179.487 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -62.71 -37.7 87.53 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 124.402 1.064 . . . . 62.439999999999998 110.853 -175.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -70.02 -29.9 67.07 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 115.645 -0.707 . . . . 71.099999999999994 111.532 177.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 73.0 mtm -79.54 -2.05 40.51 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 122.826 0.451 . . . . 74.340000000000003 111.46 174.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.98 -4.89 84.88 Favored Glycine 0 C--N 1.352 1.454 0 C-N-CA 122.897 0.284 . . . . 71.120000000000005 112.862 -178.357 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -90.16 54.9 2.92 Favored 'General case' 0 C--O 1.238 0.495 0 C-N-CA 124.294 1.037 . . . . 74.420000000000002 110.103 -177.631 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.467 ' HA ' ' HB3' ' A' ' 44' ' ' ALA . . . -69.34 -15.83 63.41 Favored 'General case' 0 C--N 1.348 0.535 0 CA-C-N 114.454 -1.248 . . . . 42.240000000000002 111.98 -177.178 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.85 -52.02 64.74 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 108.575 -0.898 . . . . 62.399999999999999 108.575 175.422 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.435 ' O ' ' HB2' ' A' ' 46' ' ' GLU . 8.2 mp0 -69.63 -34.88 74.67 Favored 'General case' 0 C--O 1.217 -0.653 0 CA-C-N 115.02 -0.991 . . . . 74.019999999999996 110.333 176.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.467 ' HB3' ' HA ' ' A' ' 41' ' ' ALA . . . -57.01 -41.88 79.3 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 122.836 0.454 . . . . 64.030000000000001 111.03 176.143 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.83 -29.99 71.13 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 124.193 0.933 . . . . 74.209999999999994 111.691 179.51 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.435 ' HB2' ' O ' ' A' ' 43' ' ' GLU . 40.0 mm-40 -60.1 -52.75 64.0 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 123.611 0.569 . . . . 52.43 110.086 171.168 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.406 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 93.6 m-85 -65.77 -36.44 83.56 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.465 0.706 . . . . 63.219999999999999 111.821 -175.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -72.78 -32.25 65.46 Favored 'General case' 0 N--CA 1.479 0.976 0 O-C-N 123.664 0.603 . . . . 73.030000000000001 110.765 178.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.58 ' HE1' ' HB2' ' A' ' 93' ' ' LYS . 44.9 t80 -71.94 -50.55 28.0 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.002 0.521 . . . . 61.219999999999999 110.49 178.035 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 76.8 mtp180 -64.32 -37.07 86.19 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 124.049 0.843 . . . . 75.129999999999995 110.537 -178.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.08 -46.59 86.72 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 123.797 0.686 . . . . 75.019999999999996 109.656 173.55 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.8 -34.84 75.13 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 123.838 0.711 . . . . 65.420000000000002 111.502 -179.174 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.416 HG13 ' O ' ' A' ' 49' ' ' PHE . 68.7 mt -60.35 -50.44 80.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 C-N-CA 123.212 0.605 . . . . 63.520000000000003 109.598 173.846 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 72.1 t -61.82 -44.41 98.77 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.165 0 C-N-CA 124.03 0.932 . . . . 51.229999999999997 111.598 -177.585 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -67.4 -30.59 70.4 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.284 0.633 . . . . 72.230000000000004 111.211 178.595 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -69.72 -41.93 74.68 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.663 0.785 . . . . 74.200000000000003 111.01 176.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -60.16 -35.97 76.52 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.334 0.654 . . . . 71.340000000000003 111.196 172.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -85.09 -11.11 55.97 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 122.909 0.484 . . . . 63.310000000000002 112.014 176.231 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 81.6 m-70 60.78 25.67 15.51 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.307 1.043 . . . . 73.140000000000001 112.135 178.587 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -81.22 101.09 9.48 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.217 1.007 . . . . 72.140000000000001 108.355 176.638 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.432 HG22 ' HB3' ' A' ' 101' ' ' GLU . 18.0 p -59.86 -35.78 75.49 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.348 1.059 . . . . 74.109999999999999 112.029 -177.848 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -69.05 -50.8 45.3 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.428 0.691 . . . . 74.409999999999997 110.745 -175.369 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -70.85 -36.64 65.83 Favored Glycine 0 C--N 1.347 1.164 0 O-C-N 123.769 0.668 . . . . 74.450000000000003 113.11 179.105 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 65.6 tp -60.52 -47.28 86.86 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.766 0.826 . . . . 73.540000000000006 110.037 176.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 56.3 ttp180 -71.93 -29.03 63.87 Favored 'General case' 0 N--CA 1.476 0.873 0 O-C-N 124.474 1.109 . . . . 73.450000000000003 110.91 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -66.37 -49.58 66.4 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.014 0.526 . . . . 74.230000000000004 110.1 177.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.418 ' O ' ' HB2' ' A' ' 71' ' ' LEU . . . -74.03 -30.93 62.67 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.131 -0.941 . . . . 64.319999999999993 110.971 179.721 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.09 -44.47 76.17 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.115 0.566 . . . . 65.519999999999996 110.812 176.234 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.467 ' HA ' ' HE3' ' A' ' 72' ' ' LYS . 16.0 tppt? -60.3 -53.68 54.72 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 124.045 0.84 . . . . 72.239999999999995 109.45 177.181 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.1 t -64.55 -30.1 71.13 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 124.64 1.212 . . . . 61.520000000000003 111.039 -175.551 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.474 HD22 ' HB2' ' A' ' 91' ' ' ALA . 0.9 OUTLIER -60.34 -52.04 66.96 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.73 0.812 . . . . 71.239999999999995 108.922 173.768 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.467 ' HE3' ' HA ' ' A' ' 69' ' ' LYS . 8.9 mtmp? -66.83 -37.2 84.05 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.649 0.78 . . . . 64.219999999999999 111.615 -177.067 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 69' ' ' LYS . 9.9 mm-40 -74.82 -24.3 58.6 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 109.962 -0.385 . . . . 64.510000000000005 109.962 179.803 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.507 ' O ' HG13 ' A' ' 78' ' ' ILE . . . -70.32 -37.67 74.77 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-O 119.017 -0.516 . . . . 64.540000000000006 109.941 171.426 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.44 ' HA ' HD12 ' A' ' 78' ' ' ILE . 37.2 mm -53.68 -44.49 58.55 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 C-N-CA 123.931 0.892 . . . . 74.519999999999996 112.5 -173.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 11.9 t -69.52 -30.44 68.28 Favored 'General case' 0 CA--C 1.551 1.006 0 O-C-N 123.268 0.355 . . . . 71.099999999999994 110.71 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -85.22 -8.54 58.51 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.035 0.934 . . . . 74.219999999999999 111.828 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.507 HG13 ' O ' ' A' ' 74' ' ' ALA . 38.1 mt -68.87 141.24 92.13 Favored Pre-proline 0 N--CA 1.484 1.241 0 C-N-CA 123.724 0.81 . . . . 54.5 111.337 -179.503 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.431 ' O ' HG22 ' A' ' 78' ' ' ILE . 32.4 Cg_exo -44.77 147.3 1.89 Allowed 'Trans proline' 0 C--N 1.381 2.251 0 C-N-CA 123.887 3.058 . . . . 65.519999999999996 114.539 165.054 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -80.88 -17.74 49.6 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 124.273 1.029 . . . . 64.200000000000003 112.134 -167.147 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -68.49 -70.77 0.25 Allowed 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.266 0.626 . . . . 60.009999999999998 112.254 -167.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -118.07 -32.27 4.79 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.156 0.583 . . . . 65.340000000000003 111.585 -171.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -65.08 -23.46 69.65 Favored Glycine 0 C--N 1.345 1.064 0 N-CA-C 115.095 0.798 . . . . 63.200000000000003 115.095 -168.478 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 -64.54 -51.45 62.79 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 109.574 -0.528 . . . . 54.520000000000003 109.574 177.316 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -86.3 14.9 5.84 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 112.84 0.682 . . . . 72.329999999999998 112.84 -171.422 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.83 -49.85 0.7 Allowed 'General case' 0 N--CA 1.484 1.27 0 O-C-N 121.954 -0.466 . . . . 71.150000000000006 111.769 177.36 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -75.43 -34.34 60.99 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 112.038 0.385 . . . . 73.340000000000003 112.038 -176.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -63.35 -29.45 70.76 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.345 0.658 . . . . 73.25 110.208 176.043 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.586 ' HA ' ' HD3' ' A' ' 92' ' ' LYS . 6.5 mm-40 -73.28 -39.41 65.38 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.71 0.804 . . . . 63.039999999999999 110.502 178.733 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 47.0 mtm -63.66 -34.0 76.87 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 116.054 -0.521 . . . . 75.030000000000001 110.738 174.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.474 ' HB2' HD22 ' A' ' 71' ' ' LEU . . . -61.34 -26.89 68.11 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 115.523 -0.762 . . . . 60.439999999999998 111.792 177.213 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.586 ' HD3' ' HA ' ' A' ' 89' ' ' GLU . 14.1 mptt -60.95 -43.05 99.25 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 123.215 0.322 . . . . 64.310000000000002 110.592 173.02 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.58 ' HB2' ' HE1' ' A' ' 49' ' ' PHE . 73.4 mmtt -59.6 -46.64 88.37 Favored 'General case' 0 N--CA 1.48 1.046 0 O-C-N 123.713 0.633 . . . . 70.209999999999994 110.175 -179.128 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.46 -32.35 68.65 Favored 'General case' 0 CA--C 1.548 0.903 0 O-C-N 124.431 1.082 . . . . 74.409999999999997 111.855 178.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.413 ' O ' ' HG3' ' A' ' 99' ' ' GLN . 48.1 mt-10 -72.12 -47.86 48.01 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.523 0.729 . . . . 43.009999999999998 110.28 174.589 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.438 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 32.3 mm-40 -60.86 -37.65 82.86 Favored 'General case' 0 N--CA 1.483 1.189 0 O-C-N 123.996 0.81 . . . . 75.310000000000002 111.446 -175.164 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 29.5 m0 -68.82 -43.45 75.55 Favored 'General case' 0 C--O 1.224 -0.249 0 O-C-N 124.192 0.932 . . . . 72.5 110.193 177.576 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 52.6 tp -61.9 -43.71 98.28 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 123.56 0.537 . . . . 75.019999999999996 110.828 179.216 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.413 ' HG3' ' O ' ' A' ' 95' ' ' GLU . 74.8 mt-30 -67.7 -30.69 70.27 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.656 0.782 . . . . 65.519999999999996 110.655 -179.49 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -69.85 -41.63 74.64 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.483 0.713 . . . . 71.099999999999994 110.755 175.164 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.432 ' HB3' HG22 ' A' ' 61' ' ' THR . 61.5 mm-40 -74.6 -28.52 60.94 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.524 0.73 . . . . 63.32 111.681 -178.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -87.14 76.05 9.32 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.399 0.68 . . . . 75.510000000000005 109.344 178.421 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -79.64 122.21 26.25 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 115.152 -0.931 . . . . 75.140000000000001 108.896 178.46 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 55.6 m-20 . . . . . 0 CA--C 1.558 1.262 0 C-N-CA 125.241 1.416 . . . . 63.350000000000001 109.434 -173.014 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.63 0 N-CA-C 109.022 -0.733 . . . . 44.420000000000002 109.022 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -159.78 32.39 0.18 Allowed 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 115.658 -0.701 . . . . 74.340000000000003 110.669 -173.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -64.45 -63.56 1.1 Allowed 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.238 0.615 . . . . 75.540000000000006 110.687 -178.149 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -62.9 -32.46 73.74 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 122.748 0.419 . . . . 32.420000000000002 110.727 179.107 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 68.7 mt -60.33 -41.19 86.28 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.219 0 C-N-CA 124.284 1.034 . . . . 72.230000000000004 111.172 175.558 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.484 ' O ' ' HG2' ' A' ' 10' ' ' LYS . . . -58.81 -34.82 71.94 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.546 0.738 . . . . 72.340000000000003 111.341 -177.346 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 53.6 tttm -58.99 -48.22 82.36 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.861 0.864 . . . . 73.549999999999997 110.733 174.599 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -69.72 -30.47 68.09 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 115.862 -0.608 . . . . 72.140000000000001 110.799 -177.548 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -64.13 -50.53 67.88 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.721 0.808 . . . . 64.340000000000003 110.824 176.268 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.484 ' HG2' ' O ' ' A' ' 6' ' ' ALA . 74.1 mmtt -64.68 -43.63 92.93 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.242 0.617 . . . . 73.310000000000002 110.926 -177.715 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.09 -43.98 85.74 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 115.139 -0.937 . . . . 55.039999999999999 111.924 -176.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.431 ' CE2' ' HG ' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -92.29 116.79 29.27 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 122.947 0.499 . . . . 74.549999999999997 109.817 -175.49 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.2 tpmt? -159.46 5.27 0.09 Allowed 'General case' 0 N--CA 1.481 1.092 0 O-C-N 123.799 0.687 . . . . 74.120000000000005 110.847 172.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.558 ' HB2' ' SD ' ' A' ' 24' ' ' MET . 95.4 mttt -115.92 -41.93 3.14 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 113.601 0.963 . . . . 64.450000000000003 113.601 -163.256 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.89 81.04 2.14 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 122.635 0.374 . . . . 74.400000000000006 111.6 -175.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 159.09 -36.32 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 127.998 2.519 . . . . 53.100000000000001 107.479 173.568 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -68.52 -61.7 1.72 Allowed 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 115.034 -0.985 . . . . 75.010000000000005 109.251 174.336 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.509 HD23 ' N ' ' A' ' 19' ' ' ASN . 7.5 tt -102.35 162.82 12.62 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 107.321 -1.362 . . . . 65.430000000000007 107.321 170.055 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.509 ' N ' HD23 ' A' ' 18' ' ' LEU . 2.4 m-20 -46.07 -66.1 0.45 Allowed 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.879 1.271 . . . . 72.140000000000001 111.394 178.613 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 75.7 mm-40 52.99 -155.83 0.19 Allowed 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 123.927 0.891 . . . . 60.420000000000002 113.053 169.565 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 120.87 163.19 11.96 Favored Glycine 0 C--N 1.347 1.173 0 CA-C-O 119.865 -0.408 . . . . 72.519999999999996 113.436 165.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 67.51 -59.6 0.4 Allowed 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 125.879 1.672 . . . . 74.140000000000001 111.278 -172.459 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 71.6 mt -43.0 -37.71 2.0 Allowed 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 125.745 1.618 . . . . 72.310000000000002 112.079 172.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.558 ' SD ' ' HB2' ' A' ' 14' ' ' LYS . 11.4 mtm -121.29 172.06 8.29 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.327 1.051 . . . . 74.430000000000007 109.58 175.41 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.77 -44.66 1.49 Allowed Glycine 0 N--CA 1.468 0.798 0 N-CA-C 109.544 -1.422 . . . . 73.430000000000007 109.544 -170.384 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.3 tpp180 -59.88 -40.44 88.69 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 124.136 0.975 . . . . 74.430000000000007 109.631 174.035 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.29 -43.21 78.63 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.069 0.948 . . . . 74.450000000000003 111.417 176.502 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.541 HD23 HD12 ' A' ' 31' ' ' ILE . 36.5 mt -65.07 -45.71 84.21 Favored 'General case' 0 C--N 1.361 1.077 0 O-C-N 123.482 0.488 . . . . 61.420000000000002 110.854 178.381 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.413 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 78.5 t80 -52.74 -42.17 64.69 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.04 0.936 . . . . 75.099999999999994 110.625 175.163 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.427 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 57.7 m-80 -73.1 -31.15 64.16 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 123.671 0.788 . . . . 73.230000000000004 112.696 -177.66 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.541 HD12 HD23 ' A' ' 28' ' ' LEU . 73.4 mt -65.95 -38.82 82.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 N-CA-C 109.189 -0.671 . . . . 71.5 109.189 172.185 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.475 ' HA2' ' HA ' ' A' ' 44' ' ' ALA . . . -61.03 -40.28 98.28 Favored Glycine 0 C--N 1.349 1.275 0 CA-C-N 114.289 -1.323 . . . . 72.439999999999998 112.042 175.461 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 29' ' ' TYR . 83.0 mt -59.79 -41.67 91.68 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.088 0.555 . . . . 72.120000000000005 110.726 177.627 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 30' ' ' ASN . 14.9 mm-40 -72.25 -38.88 68.79 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.17 0.588 . . . . 73.099999999999994 112.106 -175.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -77.12 -32.79 56.71 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 111.445 0.165 . . . . 64.510000000000005 111.445 -179.517 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -67.94 -33.11 74.05 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 109.419 -0.586 . . . . 73.230000000000004 109.419 173.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -65.82 -36.34 83.21 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 125.154 1.381 . . . . 72.120000000000005 110.652 175.031 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 68.9 mtm -91.61 10.15 29.25 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.606 0.762 . . . . 72.400000000000006 111.62 178.618 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 92.73 -15.64 62.12 Favored Glycine 0 C--N 1.357 1.696 0 N-CA-C 114.395 0.518 . . . . 70.420000000000002 114.395 171.523 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 40.2 mtmt -84.35 70.05 10.57 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 123.752 0.821 . . . . 74.329999999999998 109.741 -177.531 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.48 -15.03 61.33 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 114.881 -1.054 . . . . 74.230000000000004 112.776 -173.656 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.4 ttp180 -71.53 -53.14 14.81 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.324 0.649 . . . . 75.530000000000001 111.112 176.641 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -59.17 -44.0 92.13 Favored 'General case' 0 N--CA 1.48 1.075 0 O-C-N 123.787 0.679 . . . . 74.329999999999998 109.456 175.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.475 ' HA ' ' HA2' ' A' ' 32' ' ' GLY . . . -53.73 -45.12 70.4 Favored 'General case' 0 C--N 1.346 0.414 0 CA-C-N 114.197 -1.365 . . . . 64.109999999999999 111.636 178.22 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.42 -38.01 85.57 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 124.223 0.952 . . . . 62.329999999999998 111.899 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -64.48 -39.03 93.03 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.172 0.589 . . . . 74.400000000000006 110.689 177.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.502 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 55.2 m-85 -71.46 -35.73 70.96 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.17 0.588 . . . . 75.209999999999994 112.015 -179.743 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.419 ' O ' ' HB1' ' A' ' 67' ' ' ALA . 23.3 m-85 -65.88 -38.83 89.82 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 123.698 0.623 . . . . 74.230000000000004 110.146 174.063 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -64.18 -51.55 63.22 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.4 0.68 . . . . 75.319999999999993 110.92 178.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -61.02 -37.41 82.44 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.756 0.823 . . . . 74.209999999999994 110.845 179.666 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.47 -49.57 77.05 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 115.332 -0.849 . . . . 63.43 109.794 175.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.33 -31.42 71.28 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 114.8 -1.091 . . . . 71.409999999999997 111.901 -177.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.422 HG22 ' HE3' ' A' ' 57' ' ' LYS . 87.9 mt -59.07 -48.65 86.02 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 C-N-CA 123.748 0.819 . . . . 74.099999999999994 110.458 174.178 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 40.1 t -66.93 -41.16 87.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 123.732 0.813 . . . . 64.439999999999998 110.228 -177.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -72.77 -26.68 61.63 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 111.94 0.348 . . . . 74.530000000000001 111.94 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -70.49 -49.25 50.37 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 122.944 0.497 . . . . 72.230000000000004 111.211 177.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.422 ' HE3' HG22 ' A' ' 53' ' ' ILE . 17.0 ptpt -66.94 -28.13 68.04 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.156 0.582 . . . . 73.230000000000004 112.274 178.049 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.34 -11.53 56.18 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 122.841 0.456 . . . . 71.329999999999998 111.219 171.285 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 59.24 27.94 17.12 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 124.671 1.188 . . . . 71.030000000000001 111.535 -177.231 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -79.49 89.83 5.06 Favored 'General case' 0 C--N 1.349 0.581 0 N-CA-C 108.095 -1.076 . . . . 63.43 108.095 174.332 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 55.8 p -60.96 -26.38 67.49 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 114.628 -1.169 . . . . 75.540000000000006 112.028 -175.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.469 ' O ' ' HG2' ' A' ' 66' ' ' ARG . 8.6 t70 -61.7 -61.92 2.17 Favored 'General case' 0 C--N 1.353 0.752 0 O-C-N 123.727 0.642 . . . . 73.209999999999994 110.716 178.058 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -69.48 -33.66 72.72 Favored Glycine 0 C--N 1.348 1.207 0 O-C-N 124.037 0.835 . . . . 54.520000000000003 112.616 -173.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 65.1 tp -61.91 -43.75 98.2 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.022 0.929 . . . . 65.219999999999999 110.02 174.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 21.5 ttt180 -71.7 -34.97 70.06 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 115.642 -0.708 . . . . 75.150000000000006 110.606 178.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.469 ' HG2' ' O ' ' A' ' 62' ' ' ASP . 30.6 mmt180 -60.31 -48.36 82.06 Favored 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 109.565 -0.532 . . . . 74.140000000000001 109.565 176.592 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.419 ' HB1' ' O ' ' A' ' 48' ' ' PHE . . . -66.42 -44.43 82.94 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 114.915 -1.039 . . . . 71.430000000000007 111.491 -177.742 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.81 -40.53 91.97 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.758 0.823 . . . . 74.239999999999995 112.225 -179.425 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -72.28 -39.81 68.06 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.538 1.135 . . . . 61.340000000000003 109.68 -178.361 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 20.8 t -72.22 -30.3 64.78 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.644 0.778 . . . . 71.109999999999999 110.57 178.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.496 HD13 ' HA ' ' A' ' 91' ' ' ALA . 4.3 mt -60.72 -53.71 54.05 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.156 0.982 . . . . 73.439999999999998 111.097 177.508 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -58.45 -39.92 81.19 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 123.58 0.752 . . . . 74.150000000000006 111.419 -177.564 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -73.04 -32.2 64.91 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 115.846 -0.615 . . . . 74.329999999999998 110.758 177.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.545 ' O ' HG13 ' A' ' 78' ' ' ILE . . . -65.44 -31.81 73.1 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 116.283 -0.417 . . . . 74.109999999999999 110.496 175.383 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.411 HG12 ' O ' ' A' ' 71' ' ' LEU . 17.1 mm -66.29 -49.8 73.03 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 C-N-CA 123.233 0.613 . . . . 73.030000000000001 111.037 -177.091 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.0 t -67.68 -17.08 64.46 Favored 'General case' 0 CA--C 1.551 1.001 0 CA-C-N 116.019 -0.537 . . . . 71.299999999999997 110.767 176.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.39 -16.39 29.19 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.022 0.929 . . . . 72.040000000000006 112.428 177.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.545 HG13 ' O ' ' A' ' 74' ' ' ALA . 64.7 mt -67.29 115.44 26.15 Favored Pre-proline 0 N--CA 1.484 1.232 0 N-CA-C 108.847 -0.797 . . . . 72.0 108.847 176.424 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -71.4 -23.03 24.28 Favored 'Trans proline' 0 C--N 1.376 1.986 0 C-N-CA 122.624 2.216 . . . . 75.409999999999997 111.595 175.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -83.4 119.89 25.2 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.729 1.212 . . . . 54.229999999999997 109.153 -174.381 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -65.49 -51.56 59.13 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.212 0.605 . . . . 73.040000000000006 110.617 -176.524 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -67.04 -18.52 65.4 Favored 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 123.9 0.88 . . . . 74.049999999999997 110.985 176.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -74.09 -24.64 73.2 Favored Glycine 0 C--N 1.35 1.332 0 CA-C-N 116.234 -0.439 . . . . 54.219999999999999 113.44 175.125 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 90.4 mtm-85 -80.92 -17.97 48.74 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 122.666 0.387 . . . . 62.340000000000003 110.485 171.041 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 52.4 tttm -86.67 44.1 1.13 Allowed 'General case' 0 CA--C 1.558 1.251 0 C-N-CA 124.14 0.976 . . . . 54.240000000000002 110.184 177.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -173.46 -51.41 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.866 0.866 . . . . 52.219999999999999 109.873 -179.583 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.469 ' HA ' ' HE2' ' A' ' 90' ' ' MET . . . -77.08 -27.99 54.41 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.522 -0.763 . . . . 74.099999999999994 111.864 -172.029 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -69.86 -29.66 66.95 Favored 'General case' 0 CA--C 1.547 0.83 0 O-C-N 123.381 0.425 . . . . 54.409999999999997 110.51 178.305 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -66.87 -34.36 77.62 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.782 0.833 . . . . 70.329999999999998 110.534 174.507 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.469 ' HE2' ' HA ' ' A' ' 87' ' ' ALA . 50.2 mtm -74.8 -34.62 62.44 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.845 0.858 . . . . 73.219999999999999 110.438 176.194 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.496 ' HA ' HD13 ' A' ' 71' ' ' LEU . . . -61.17 -40.91 95.67 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 124.053 0.846 . . . . 74.430000000000007 110.514 174.665 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.473 ' O ' ' HG2' ' A' ' 96' ' ' GLU . 29.2 mmtp -71.81 -39.47 69.81 Favored 'General case' 0 C--O 1.216 -0.68 0 CA-C-N 115.064 -0.971 . . . . 73.129999999999995 111.21 176.693 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.3 mmtm -56.11 -49.76 72.96 Favored 'General case' 0 N--CA 1.494 1.728 0 C-N-CA 123.452 0.701 . . . . 62.340000000000003 111.31 178.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.465 ' HA ' ' CE3' ' A' ' 97' ' ' TRP . . . -67.7 -32.14 72.59 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.212 0.605 . . . . 71.299999999999997 111.792 179.341 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.24 -35.18 68.77 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 123.414 0.685 . . . . 71.329999999999998 109.866 178.222 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 13.2 mm-40 -70.43 -31.62 68.88 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.513 0.725 . . . . 73.439999999999998 110.234 178.375 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' TRP . . . . . 0.465 ' CE3' ' HA ' ' A' ' 94' ' ' ALA . 38.0 m0 -68.97 -38.13 79.2 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 123.698 0.624 . . . . 61.25 110.297 173.351 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 48.0 tp -64.0 -42.51 97.15 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 123.539 0.524 . . . . 75.519999999999996 110.155 176.273 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 -67.17 -29.88 69.7 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.568 0.747 . . . . 74.040000000000006 111.123 177.526 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.01 -42.57 84.73 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.372 0.669 . . . . 64.209999999999994 110.656 175.567 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -66.13 -48.23 71.52 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.561 0.744 . . . . 74.409999999999997 110.98 178.137 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -61.97 108.39 1.03 Allowed 'General case' 0 N--CA 1.475 0.793 0 O-C-N 123.896 0.748 . . . . 71.450000000000003 109.937 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -148.76 107.63 3.85 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.714 0.806 . . . . 63.219999999999999 109.111 -178.205 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 9.6 t30 . . . . . 0 CA--C 1.563 1.478 0 C-N-CA 125.058 1.343 . . . . 74.030000000000001 110.274 -179.413 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.442 ' HB3' ' SD ' ' A' ' 38' ' ' MET . . . . . . . . 0 N--CA 1.479 0.976 0 N-CA-C 109.263 -0.643 . . . . 71.329999999999998 109.263 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -135.03 66.52 1.52 Allowed 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 124.011 0.924 . . . . 64.310000000000002 111.11 -176.157 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -114.25 -55.46 2.49 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 108.053 -1.091 . . . . 54.329999999999998 108.053 171.339 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -68.97 -42.34 76.71 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.881 0.873 . . . . 73.230000000000004 109.923 177.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.718 HG23 HG23 ' A' ' 31' ' ' ILE . 68.7 mt -60.36 -47.0 94.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 125.086 1.354 . . . . 75.140000000000001 110.699 175.171 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.66 -34.53 71.33 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 124.033 0.833 . . . . 64.209999999999994 111.443 179.308 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -67.7 -41.62 83.31 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.736 0.814 . . . . 74.349999999999994 110.83 178.138 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -69.39 -36.37 76.7 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.012 0.525 . . . . 72.230000000000004 111.299 -178.6 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.45 ' HG2' HD13 ' A' ' 31' ' ' ILE . 49.6 mt-10 -72.67 -28.28 62.62 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.566 0.746 . . . . 74.319999999999993 110.962 177.001 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -73.68 -34.4 64.86 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.232 0.613 . . . . 71.030000000000001 110.196 174.264 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.73 -33.05 64.18 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.382 0.673 . . . . 73.219999999999999 111.044 178.378 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.461 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 3.6 t80 -83.2 123.03 29.16 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 108.676 -0.861 . . . . 74.340000000000003 108.676 178.229 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -80.12 -95.37 0.04 OUTLIER 'General case' 0 CA--C 1.553 1.061 0 N-CA-C 109.63 -0.507 . . . . 55.229999999999997 109.63 174.672 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -142.11 -32.34 0.51 Allowed 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 123.609 0.764 . . . . 62.119999999999997 110.012 176.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 79.35 -35.67 0.16 Allowed 'General case' 0 N--CA 1.495 1.795 0 C-N-CA 125.879 1.672 . . . . 60.25 112.935 177.227 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -74.23 -10.69 59.86 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.973 0.909 . . . . 73.120000000000005 112.744 179.212 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -56.25 -36.68 68.82 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 124.681 1.193 . . . . 64.239999999999995 111.59 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.8 tt -153.15 149.65 28.26 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 106.692 -1.596 . . . . 65.140000000000001 106.692 -178.361 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -67.73 87.58 0.23 Allowed 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.187 0.595 . . . . 72.549999999999997 110.328 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.2 pt20 -158.51 43.64 0.28 Allowed 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.984 0.913 . . . . 63.539999999999999 110.36 -176.056 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.81 -26.16 66.66 Favored Glycine 0 C--N 1.347 1.188 0 CA-C-N 114.843 -1.071 . . . . 62.329999999999998 114.347 -174.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -59.89 -20.01 54.74 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 124.794 1.238 . . . . 74.549999999999997 113.153 -176.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.3 mt -88.23 -34.32 17.8 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.553 0.741 . . . . 62.109999999999999 112.576 -175.047 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.42 ' HB3' ' CE2' ' A' ' 12' ' ' TYR . 3.8 mpp? -114.77 -26.47 7.81 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 113.52 0.933 . . . . 71.530000000000001 113.52 -171.353 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -50.34 -39.64 36.34 Favored Glycine 0 N--CA 1.483 1.828 0 N-CA-C 115.893 1.117 . . . . 71.099999999999994 115.893 -168.473 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 51.7 mtp180 -73.03 -27.16 61.61 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.167 0.587 . . . . 74.510000000000005 112.153 -179.027 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.466 ' O ' HG13 ' A' ' 31' ' ' ILE . . . -59.28 -46.68 87.88 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 122.83 0.452 . . . . 73.430000000000007 110.887 -179.6 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.619 HD23 HD12 ' A' ' 31' ' ' ILE . 12.6 mt -60.22 -39.14 85.57 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 123.574 0.546 . . . . 74.209999999999994 111.262 175.666 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -59.54 -41.05 89.19 Favored 'General case' 0 CA--C 1.547 0.851 0 O-C-N 123.894 0.746 . . . . 72.319999999999993 110.632 177.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 62.1 m-80 -67.59 -34.97 78.09 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.017 0.527 . . . . 74.400000000000006 111.729 178.314 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.718 HG23 HG23 ' A' ' 5' ' ' ILE . 50.7 mt -67.24 -38.42 80.96 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.215 0 CA-C-O 121.442 0.639 . . . . 72.019999999999996 109.739 178.597 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.89 -46.92 92.58 Favored Glycine 0 C--N 1.349 1.263 0 CA-C-N 114.791 -1.095 . . . . 52.329999999999998 111.831 174.681 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 91.1 mt -57.62 -36.08 71.32 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.65 0.78 . . . . 75.120000000000005 111.581 179.381 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -62.42 -51.75 66.3 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.648 0.779 . . . . 70.409999999999997 111.791 178.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.469 ' HB3' ' HB2' ' A' ' 40' ' ' LYS . 89.5 mttt -71.33 -37.66 71.72 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 122.801 0.441 . . . . 74.239999999999995 111.602 -178.21 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -60.67 -41.4 94.99 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.969 0.907 . . . . 73.329999999999998 110.273 179.134 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 48.9 tttm -67.9 -29.59 68.72 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 125.3 1.44 . . . . 71.450000000000003 111.264 178.615 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.442 ' SD ' ' HB3' ' A' ' 1' ' ' ALA . 71.3 mtm -87.09 0.91 54.49 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 123.366 0.666 . . . . 53.450000000000003 111.804 174.76 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 92.3 -9.46 76.15 Favored Glycine 0 C--N 1.353 1.496 0 C-N-CA 123.048 0.356 . . . . 63.509999999999998 113.814 178.081 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.469 ' HB2' ' HB3' ' A' ' 35' ' ' LYS . 58.3 mttm -78.45 64.78 3.6 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.531 1.132 . . . . 60.450000000000003 109.72 176.639 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.11 -20.02 46.02 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.632 0.773 . . . . 65.540000000000006 112.389 -170.679 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? -69.41 -46.39 66.96 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 108.795 -0.816 . . . . 60.350000000000001 108.795 172.622 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -64.78 -41.38 95.88 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 114.532 -1.213 . . . . 74.049999999999997 110.61 178.592 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.18 -44.22 87.9 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 124.403 1.081 . . . . 72.230000000000004 111.513 176.132 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.62 -33.75 68.57 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 124.62 1.2 . . . . 65.030000000000001 111.944 -178.44 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -63.17 -47.36 82.98 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 124.003 0.921 . . . . 70.450000000000003 110.713 177.043 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.448 ' HE2' ' HD2' ' A' ' 35' ' ' LYS . 86.0 m-85 -69.88 -36.4 75.42 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 115.559 -0.746 . . . . 71.099999999999994 111.377 -178.136 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.495 ' HB2' ' HG ' ' A' ' 71' ' ' LEU . 20.4 m-85 -66.95 -34.12 77.06 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 123.892 0.745 . . . . 73.25 110.765 176.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -70.27 -51.98 26.39 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 123.701 0.626 . . . . 74.219999999999999 111.202 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.463 ' O ' HG23 ' A' ' 54' ' ' VAL . 99.5 mtt180 -62.55 -38.16 88.97 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 124.101 0.876 . . . . 73.239999999999995 110.368 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.2 -45.42 93.21 Favored 'General case' 0 C--N 1.354 0.775 0 O-C-N 123.796 0.685 . . . . 75.140000000000001 110.03 173.288 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.61 -36.0 81.36 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.733 0.813 . . . . 34.130000000000003 112.037 -178.409 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 98.0 mt -60.32 -41.99 89.14 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 C-N-CA 123.751 0.82 . . . . 71.219999999999999 110.118 174.5 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 50' ' ' ARG . 49.5 t -73.65 -35.05 43.18 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 CA-C-N 115.234 -0.894 . . . . 74.150000000000006 110.777 -178.484 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -70.95 -28.56 64.56 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.247 0.619 . . . . 75.049999999999997 111.217 175.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.408 ' CD1' ' HB3' ' A' ' 97' ' ' TRP . 34.5 t80 -77.26 -47.51 19.94 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.31 0.644 . . . . 64.340000000000003 111.584 -178.308 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.0 -34.93 75.58 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.003 0.521 . . . . 63.109999999999999 112.325 176.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -84.27 -11.93 55.57 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 122.566 0.347 . . . . 60.229999999999997 110.817 175.181 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 63.81 33.85 12.39 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 125.534 1.534 . . . . 73.209999999999994 112.363 177.138 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -80.79 93.1 6.16 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 108.371 -0.974 . . . . 55.240000000000002 108.371 175.655 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.421 HG22 ' HB3' ' A' ' 101' ' ' GLU . 6.9 p -54.63 -39.47 67.97 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.156 0.982 . . . . 72.209999999999994 112.869 -178.376 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -62.25 -54.08 45.87 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.859 0.724 . . . . 75.450000000000003 111.087 -179.303 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -73.08 -34.54 58.36 Favored Glycine 0 C--N 1.342 0.887 0 O-C-N 124.265 0.978 . . . . 64.430000000000007 113.113 -173.428 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.513 HD23 ' HG3' ' A' ' 101' ' ' GLU . 51.4 tp -64.28 -45.54 87.57 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.282 0.633 . . . . 74.439999999999998 109.919 175.437 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.465 ' O ' ' HG2' ' A' ' 69' ' ' LYS . 43.3 ttt-85 -60.05 -41.94 93.4 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 124.19 0.931 . . . . 71.319999999999993 110.759 173.112 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.0 ttt180 -65.15 -42.09 94.12 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.517 1.127 . . . . 72.109999999999999 110.15 -174.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.529 ' O ' ' HB2' ' A' ' 71' ' ' LEU . . . -75.04 -34.39 61.85 Favored 'General case' 0 C--N 1.346 0.448 0 CA-C-N 114.493 -1.231 . . . . 65.310000000000002 110.727 178.093 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.8 -47.66 68.48 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.08 0.952 . . . . 52.310000000000002 112.058 -177.326 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.465 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 70.2 mmtt -68.1 -48.23 66.06 Favored 'General case' 0 C--O 1.22 -0.498 0 CA-C-N 115.303 -0.862 . . . . 75.299999999999997 109.99 179.706 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 13.6 t -63.71 -29.93 71.09 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.384 0.673 . . . . 53.020000000000003 111.333 -178.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.529 ' HB2' ' O ' ' A' ' 67' ' ' ALA . 0.9 OUTLIER -63.27 -51.9 64.26 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.959 0.904 . . . . 72.150000000000006 108.732 173.638 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.7 ttpp -66.07 -31.81 72.91 Favored 'General case' 0 CA--C 1.552 1.043 0 CA-C-N 114.611 -1.177 . . . . 75.420000000000002 111.397 -177.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' A' ' 69' ' ' LYS . 23.9 mm-40 -74.67 -30.41 61.57 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.455 0.702 . . . . 70.129999999999995 109.845 176.346 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.441 ' O ' HG13 ' A' ' 78' ' ' ILE . . . -68.99 -34.54 75.47 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 116.068 -0.514 . . . . 44.549999999999997 110.209 174.334 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.412 HG12 ' O ' ' A' ' 71' ' ' LEU . 23.5 mm -62.92 -46.36 96.53 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 C-N-CA 123.032 0.533 . . . . 63.340000000000003 112.022 -176.826 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 14.7 t -71.16 -15.21 62.48 Favored 'General case' 0 CA--C 1.551 0.987 0 CA-C-N 115.798 -0.637 . . . . 64.430000000000007 111.211 179.098 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -100.89 0.26 38.12 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 124.113 0.965 . . . . 64.430000000000007 112.149 177.37 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 74' ' ' ALA . 62.8 mt -69.55 131.08 90.05 Favored Pre-proline 0 N--CA 1.486 1.333 0 C-N-CA 122.986 0.514 . . . . 75.340000000000003 109.902 176.673 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -56.81 115.39 2.45 Favored 'Trans proline' 0 C--N 1.371 1.72 0 C-N-CA 122.389 2.059 . . . . 74.400000000000006 110.77 163.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.577 ' HG3' ' HG3' ' A' ' 84' ' ' ARG . 34.1 tt0 -77.05 75.37 3.62 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-O 121.75 0.786 . . . . 75.400000000000006 112.007 -169.75 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -130.66 -53.42 1.07 Allowed 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 106.882 -1.525 . . . . 70.310000000000002 106.882 169.204 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -116.29 -178.82 3.5 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.371 1.069 . . . . 72.230000000000004 109.15 169.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 66.71 -135.18 32.86 Favored Glycine 0 C--N 1.349 1.304 0 CA-C-O 119.287 -0.73 . . . . 25.219999999999999 111.986 -175.048 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.577 ' HG3' ' HG3' ' A' ' 80' ' ' GLU . 18.5 mmt180 65.66 -65.73 0.17 Allowed 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 125.145 1.378 . . . . 51.329999999999998 113.616 170.442 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.403 ' NZ ' ' HB2' ' A' ' 85' ' ' LYS . 4.8 ttmp? -86.5 -54.68 4.27 Favored 'General case' 0 C--O 1.241 0.65 0 C-N-CA 123.753 0.821 . . . . 64.530000000000001 110.396 176.307 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.92 -38.8 61.7 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 115.118 -0.947 . . . . 70.409999999999997 111.303 -173.5 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.46 -27.88 63.57 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.241 -0.436 . . . . 73.109999999999999 110.493 176.416 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.5 ' HB2' ' O ' ' A' ' 84' ' ' ARG . 77.5 tttt -72.84 -30.35 63.95 Favored 'General case' 0 C--O 1.214 -0.8 0 CA-C-N 116.314 -0.403 . . . . 63.049999999999997 110.807 177.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -53.75 -37.36 63.32 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.192 0.597 . . . . 70.420000000000002 110.238 174.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 49.3 mtm -67.57 -40.57 84.89 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 114.5 -1.227 . . . . 64.209999999999994 110.968 177.287 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.451 ' HA ' HD13 ' A' ' 71' ' ' LEU . . . -62.55 -44.09 97.21 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.294 0.637 . . . . 62.310000000000002 110.331 175.506 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.517 ' O ' ' HG2' ' A' ' 96' ' ' GLU . 83.3 mttt -60.31 -42.12 94.9 Favored 'General case' 0 C--N 1.352 0.708 0 O-C-N 124.353 1.033 . . . . 55.539999999999999 109.906 179.625 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 67.6 mmtt -57.99 -50.86 71.94 Favored 'General case' 0 N--CA 1.482 1.166 0 O-C-N 124.478 1.111 . . . . 73.010000000000005 111.014 178.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.64 -33.12 74.39 Favored 'General case' 0 CA--C 1.547 0.846 0 O-C-N 124.219 0.949 . . . . 52.039999999999999 111.435 -179.083 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -73.68 -38.19 65.0 Favored 'General case' 0 CA--C 1.55 0.97 0 CA-C-N 115.348 -0.842 . . . . 73.540000000000006 110.86 174.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.517 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 32.8 mm-40 -60.7 -47.19 87.38 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 123.78 0.832 . . . . 71.230000000000004 110.065 179.352 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' TRP . . . . . 0.529 ' O ' ' HG2' ' A' ' 101' ' ' GLU . 39.0 m0 -62.09 -44.32 96.91 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-N 114.023 -1.444 . . . . 71.540000000000006 110.119 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.42 ' O ' ' HG2' ' A' ' 102' ' ' GLN . 54.3 tp -59.24 -45.98 89.71 Favored 'General case' 0 CA--C 1.549 0.92 0 O-C-N 124.245 0.966 . . . . 73.420000000000002 111.875 179.37 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -61.25 -35.5 77.44 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 123.882 0.873 . . . . 71.0 110.929 177.69 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -75.06 -30.99 61.15 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 115.095 -0.957 . . . . 71.219999999999999 111.096 179.664 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.529 ' HG2' ' O ' ' A' ' 97' ' ' TRP . 16.9 mm-40 -71.41 -25.72 62.45 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.794 0.837 . . . . 73.340000000000003 111.074 176.388 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.42 ' HG2' ' O ' ' A' ' 98' ' ' LEU . 72.1 mm-40 -74.97 94.45 2.84 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 108.522 -0.918 . . . . 74.349999999999994 108.522 174.718 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -66.79 98.72 0.56 Allowed 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 109.228 -0.656 . . . . 64.230000000000004 109.228 179.461 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 6.9 t30 . . . . . 0 C--O 1.249 1.037 0 C-N-CA 124.306 1.042 . . . . 55.210000000000001 108.327 -177.858 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.134 0 N-CA-C 109.159 -0.682 . . . . 53.43 109.159 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -112.04 11.6 20.52 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 124.174 0.99 . . . . 64.129999999999995 111.506 -170.448 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -71.66 -37.45 70.8 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.37 0.668 . . . . 75.049999999999997 110.33 -174.31 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 57.1 m-80 -81.28 -31.5 33.63 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 115.791 -0.64 . . . . 73.109999999999999 110.988 175.639 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.453 HD13 ' HB3' ' A' ' 34' ' ' GLU . 63.8 mt -69.96 -36.54 69.38 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.794 0 C-N-CA 123.617 0.767 . . . . 75.439999999999998 110.824 -177.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.05 -25.56 67.88 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 114.968 -1.015 . . . . 23.100000000000001 112.334 -177.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt -63.85 -36.32 83.52 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.096 0.558 . . . . 54.210000000000001 111.102 178.259 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -66.16 -26.03 67.23 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.14 0.576 . . . . 74.040000000000006 111.571 -178.11 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -63.72 -25.23 68.11 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.784 0.834 . . . . 74.540000000000006 112.133 -179.069 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -65.48 -34.12 77.54 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.353 0.661 . . . . 72.239999999999995 111.168 176.438 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.19 -20.45 64.17 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.194 0.597 . . . . 64.439999999999998 111.752 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.496 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 9.4 t80 -83.29 115.65 22.08 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 109.058 -0.719 . . . . 74.329999999999998 109.058 175.149 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -95.27 168.37 10.77 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.871 0.868 . . . . 74.430000000000007 109.403 172.115 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -45.29 -40.7 7.9 Favored 'General case' 0 N--CA 1.497 1.925 0 C-N-CA 124.848 1.259 . . . . 74.319999999999993 113.703 -164.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 75.76 -58.31 0.55 Allowed 'General case' 0 N--CA 1.495 1.821 0 C-N-CA 125.388 1.475 . . . . 73.310000000000002 113.82 168.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -68.52 -31.31 70.46 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.823 0.849 . . . . 71.140000000000001 110.462 -178.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -152.67 92.58 1.68 Allowed 'General case' 0 CA--C 1.557 1.237 0 CA-C-O 121.626 0.727 . . . . 42.030000000000001 111.287 179.138 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -158.22 4.33 0.11 Allowed 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.646 0.778 . . . . 74.420000000000002 109.682 173.568 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 61.03 22.19 12.47 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 123.968 0.907 . . . . 73.420000000000002 109.987 -165.53 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -137.69 96.42 3.23 Favored 'General case' 0 C--N 1.349 0.583 0 C-N-CA 124.681 1.192 . . . . 62.219999999999999 108.286 -177.086 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -108.09 -151.65 16.21 Favored Glycine 0 N--CA 1.474 1.173 0 N-CA-C 109.425 -1.47 . . . . 61.329999999999998 109.425 165.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 65.52 -65.93 0.16 Allowed 'General case' 0 N--CA 1.498 1.947 0 C-N-CA 125.03 1.332 . . . . 75.030000000000001 113.836 173.619 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 60.3 mt -47.32 -53.0 14.72 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.743 1.617 . . . . 51.32 112.053 179.299 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -77.07 -176.74 4.14 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.556 0.742 . . . . 53.329999999999998 112.042 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.8 -56.45 2.6 Favored Glycine 0 C--N 1.348 1.195 0 N-CA-C 110.18 -1.168 . . . . 64.150000000000006 110.18 -171.696 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -57.69 -35.14 70.2 Favored 'General case' 0 C--N 1.35 0.615 0 C-N-CA 123.571 0.748 . . . . 51.229999999999997 111.051 178.062 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.496 ' HB3' ' HD2' ' A' ' 12' ' ' TYR . . . -61.44 -54.2 46.55 Favored 'General case' 0 C--N 1.354 0.782 0 O-C-N 123.809 0.693 . . . . 72.219999999999999 110.339 178.703 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.529 HD13 ' HB2' ' A' ' 50' ' ' ARG . 27.8 mt -58.07 -36.32 72.64 Favored 'General case' 0 C--N 1.359 0.998 0 O-C-N 123.315 0.384 . . . . 71.140000000000001 111.506 -178.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -61.04 -53.69 54.07 Favored 'General case' 0 CA--C 1.559 1.301 0 C-N-CA 123.295 0.638 . . . . 73.040000000000006 110.685 176.302 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -65.58 -43.61 89.22 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.337 0.655 . . . . 74.530000000000001 111.959 -174.048 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.515 HG22 ' HE2' ' A' ' 35' ' ' LYS . 20.2 mt -69.95 -35.75 65.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 123.8 0.84 . . . . 64.5 109.45 179.341 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -60.91 -38.29 95.16 Favored Glycine 0 C--N 1.351 1.388 0 CA-C-N 115.445 -0.798 . . . . 64.310000000000002 112.73 179.137 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.6 mt -59.14 -39.14 81.47 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.333 0.653 . . . . 72.310000000000002 110.722 174.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.453 ' HB3' HD13 ' A' ' 5' ' ' ILE . 30.3 mm-40 -66.67 -39.08 88.0 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.675 0.79 . . . . 61.140000000000001 111.864 -179.742 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.515 ' HE2' HG22 ' A' ' 31' ' ' ILE . 4.8 mptp? -62.06 -49.94 73.97 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.194 0.598 . . . . 70.409999999999997 109.89 173.052 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -58.21 -39.71 79.7 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 124.479 1.112 . . . . 74.519999999999996 110.851 -176.192 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.1 ttpp -58.56 -37.3 75.45 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.722 1.209 . . . . 64.400000000000006 112.463 179.464 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 54.1 mtm -84.18 -17.06 41.2 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 122.607 0.363 . . . . 64.450000000000003 111.871 -179.102 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 105.86 10.4 30.56 Favored Glycine 0 C--N 1.341 0.858 0 O-C-N 123.537 0.523 . . . . 34.219999999999999 112.88 -176.625 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.402 ' HB2' ' HB3' ' A' ' 35' ' ' LYS . 70.6 mmtt -83.66 57.03 3.87 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 108.165 -1.05 . . . . 60.210000000000001 108.165 171.826 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.477 ' HB1' ' O ' ' A' ' 74' ' ' ALA . . . -74.0 -27.92 61.2 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.635 0.774 . . . . 74.129999999999995 111.789 -169.348 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.473 HH11 ' HB2' ' A' ' 87' ' ' ALA . 27.4 tpt180 -64.83 -52.47 56.55 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.678 0.791 . . . . 75.430000000000007 109.907 172.025 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -66.15 -32.26 73.6 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.058 -0.974 . . . . 74.439999999999998 110.855 -178.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.7 -44.86 76.71 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 123.585 0.754 . . . . 43.549999999999997 110.594 178.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.23 -36.58 78.04 Favored 'General case' 0 C--N 1.349 0.576 0 O-C-N 124.28 0.988 . . . . 73.109999999999999 111.092 -179.636 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -57.55 -49.34 76.69 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.681 0.793 . . . . 61.009999999999998 110.516 173.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.476 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 3.5 m-85 -61.46 -45.87 92.43 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 115.093 -0.958 . . . . 74.230000000000004 111.519 -178.487 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.528 ' HB2' ' HG ' ' A' ' 71' ' ' LEU . 27.3 m-85 -66.04 -31.53 72.47 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 122.955 0.502 . . . . 73.140000000000001 111.653 -179.167 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -71.67 -52.15 19.36 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.486 0.714 . . . . 74.310000000000002 111.109 -179.336 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.529 ' HB2' HD13 ' A' ' 28' ' ' LEU . 44.9 mtt180 -67.34 -30.83 70.75 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 115.335 -0.848 . . . . 72.120000000000005 110.155 -178.829 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.48 -48.3 80.22 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 115.266 -0.879 . . . . 72.400000000000006 109.667 171.281 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.57 -30.93 71.97 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 124.432 1.083 . . . . 65.129999999999995 111.832 -178.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 80.2 mt -60.91 -44.42 97.86 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 C-N-CA 123.535 0.734 . . . . 73.530000000000001 110.53 173.605 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 47.5 t -70.03 -43.44 79.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 123.062 0.545 . . . . 74.019999999999996 110.074 178.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -64.1 -28.54 69.85 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.098 0.559 . . . . 75.030000000000001 111.632 179.24 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -72.45 -53.99 10.58 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.272 0.629 . . . . 62.140000000000001 111.0 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -66.25 -32.0 73.16 Favored 'General case' 0 N--CA 1.484 1.263 0 CA-C-N 116.308 -0.406 . . . . 71.140000000000001 111.509 179.537 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -86.36 -2.12 58.14 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 122.883 0.473 . . . . 74.409999999999997 111.099 175.678 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 57.68 27.07 13.76 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 124.735 1.214 . . . . 74.239999999999995 112.298 173.162 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -81.98 83.43 7.26 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.91 1.284 . . . . 65.129999999999995 108.488 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.685 HG22 ' HB3' ' A' ' 101' ' ' GLU . 25.7 p -55.64 -35.74 66.25 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.794 1.238 . . . . 71.409999999999997 112.414 -179.119 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -56.47 -54.39 46.25 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.753 1.221 . . . . 72.140000000000001 111.251 179.398 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -76.03 -39.09 33.57 Favored Glycine 0 C--N 1.344 1.004 0 CA-C-N 115.234 -0.894 . . . . 70.319999999999993 112.708 -177.143 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 44.2 tp -61.93 -41.86 98.43 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.478 0.711 . . . . 74.120000000000005 110.982 -178.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -65.94 -45.73 80.79 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.892 0.877 . . . . 73.299999999999997 110.531 -178.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -74.58 -30.09 61.58 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 114.93 -1.032 . . . . 73.340000000000003 110.866 -176.464 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.425 ' O ' ' HB2' ' A' ' 71' ' ' LEU . . . -75.23 -32.17 61.05 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.378 0.671 . . . . 55.520000000000003 110.467 176.006 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.65 -40.79 84.52 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.709 0.804 . . . . 72.5 110.324 175.437 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 23.4 mmmt -58.36 -53.22 60.8 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 114.599 -1.182 . . . . 63.229999999999997 110.904 172.649 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 62.4 m -68.09 -29.51 68.47 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.124 0.569 . . . . 73.409999999999997 112.142 -177.577 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.528 ' HG ' ' HB2' ' A' ' 48' ' ' PHE . 0.6 OUTLIER -63.68 -54.97 27.26 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.652 0.781 . . . . 55.149999999999999 109.555 -178.379 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -68.66 -35.21 76.94 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 115.87 -0.605 . . . . 74.420000000000002 112.149 -175.524 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -75.49 -23.74 56.81 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.274 0.63 . . . . 73.430000000000007 111.259 -178.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.477 ' O ' ' HB1' ' A' ' 41' ' ' ALA . . . -75.06 -35.91 61.82 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 122.69 0.396 . . . . 61.420000000000002 110.499 170.391 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.724 HD13 ' HA ' ' A' ' 88' ' ' LYS . 81.7 mt -71.47 -38.0 66.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 123.33 0.652 . . . . 62.25 112.076 -178.646 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 41.2 p -69.39 -16.81 63.59 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 116.533 -0.303 . . . . 72.319999999999993 110.843 174.162 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -85.68 -20.43 29.41 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.291 0.636 . . . . 64.409999999999997 111.435 173.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 28.2 mt -73.42 126.28 90.1 Favored Pre-proline 0 N--CA 1.482 1.171 0 N-CA-C 107.767 -1.197 . . . . 73.140000000000001 107.767 170.358 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_endo -61.26 -73.56 0.02 OUTLIER 'Trans proline' 0 C--N 1.375 1.941 0 C-N-CA 122.149 1.899 . . . . 64.209999999999994 112.786 176.521 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -139.69 -48.51 0.47 Allowed 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.341 0.656 . . . . 75.049999999999997 110.305 -176.286 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -64.4 113.91 3.96 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.573 0.749 . . . . 71.409999999999997 112.193 -170.221 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 57.96 25.37 12.12 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.885 1.274 . . . . 75.230000000000004 112.309 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -142.23 -169.93 12.38 Favored Glycine 0 C--O 1.244 0.724 0 N-CA-C 109.707 -1.357 . . . . 53.329999999999998 109.707 172.206 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 66.47 -4.89 0.66 Allowed 'General case' 0 CA--C 1.572 1.824 0 C-N-CA 123.719 0.808 . . . . 71.209999999999994 112.325 176.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -170.36 -59.43 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.423 1.489 . . . . 71.549999999999997 108.18 -172.015 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -63.45 -71.54 0.17 Allowed 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.947 0.899 . . . . 64.219999999999999 111.774 -174.457 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.473 ' HB2' HH11 ' A' ' 42' ' ' ARG . . . -66.33 -24.34 66.51 Favored 'General case' 0 C--N 1.353 0.748 0 C-N-CA 122.816 0.447 . . . . 64.409999999999997 111.341 175.185 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.724 ' HA ' HD13 ' A' ' 75' ' ' ILE . 14.1 tmtt? -59.27 -33.61 71.26 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.42 1.088 . . . . 62.43 112.314 -172.226 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -61.21 -31.7 71.47 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.914 0.885 . . . . 73.439999999999998 111.74 178.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 50.0 mtm -65.07 -33.53 76.27 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.347 0.659 . . . . 70.019999999999996 111.931 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.559 ' HB2' HD12 ' A' ' 75' ' ' ILE . . . -58.02 -48.05 81.21 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 123.52 0.512 . . . . 73.319999999999993 110.327 173.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.457 ' O ' ' HG2' ' A' ' 96' ' ' GLU . 86.9 tttt -58.59 -43.2 89.43 Favored 'General case' 0 C--N 1.355 0.84 0 O-C-N 124.221 0.95 . . . . 74.310000000000002 110.776 176.762 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt -56.08 -51.54 67.49 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 124.276 0.985 . . . . 74.219999999999999 111.504 -178.423 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.62 -31.93 72.87 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 123.882 0.739 . . . . 75.319999999999993 111.944 -178.069 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -75.92 -37.35 58.84 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.804 0.842 . . . . 73.340000000000003 111.287 178.228 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 52.6 mm-40 -63.18 -41.55 99.24 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-O 121.461 0.648 . . . . 73.5 109.662 177.263 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 50.4 m0 -64.78 -42.23 95.25 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 114.256 -1.338 . . . . 64.549999999999997 110.487 175.594 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 42.3 tp -63.05 -31.46 72.61 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 124.218 0.949 . . . . 64.129999999999995 111.498 -178.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -67.15 -49.06 66.12 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 122.906 0.482 . . . . 72.319999999999993 110.259 174.609 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.39 64.18 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.26 0.624 . . . . 51.310000000000002 111.868 179.095 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.685 ' HB3' HG22 ' A' ' 61' ' ' THR . 76.2 mm-40 -84.22 -39.18 19.63 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 115.349 -0.841 . . . . 62.0 112.068 177.573 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -149.5 113.25 5.07 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 122.929 0.492 . . . . 52.450000000000003 110.089 -178.157 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 62.42 79.0 0.27 Allowed 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 124.779 1.232 . . . . 75.140000000000001 111.978 178.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.49 1.542 0 C-N-CA 124.085 0.954 . . . . 62.329999999999998 110.792 178.317 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.338 0 N-CA-C 112.482 0.549 . . . . 52.219999999999999 112.482 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -82.48 5.38 20.82 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 112.257 0.466 . . . . 71.230000000000004 112.257 -174.098 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -55.58 -35.42 65.76 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 124.252 1.021 . . . . 73.209999999999994 110.17 173.193 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -64.18 -41.68 97.01 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.844 0.858 . . . . 73.439999999999998 111.641 177.538 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 63.4 mt -65.98 -47.42 85.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 124.065 0.946 . . . . 74.519999999999996 109.867 177.526 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.07 -28.45 69.47 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 114.555 -1.202 . . . . 71.120000000000005 111.672 -179.254 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.21 -48.3 82.15 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.952 0.901 . . . . 73.239999999999995 109.928 173.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -62.54 -47.4 84.06 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 114.921 -1.036 . . . . 73.25 110.495 -178.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -62.32 -32.93 73.76 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 124.086 0.955 . . . . 72.319999999999993 111.888 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.0 tptp -77.0 -30.53 55.93 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.646 0.778 . . . . 61.009999999999998 110.722 179.248 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.58 -6.5 40.16 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.66 0.784 . . . . 72.129999999999995 111.821 -179.248 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.673 ' HE1' ' HB3' ' A' ' 24' ' ' MET . 71.1 t80 -119.66 123.27 43.43 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.689 0.796 . . . . 75.310000000000002 110.795 -179.358 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -144.88 -167.65 2.72 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 124.717 1.207 . . . . 75.540000000000006 109.635 172.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp 75.88 -66.0 0.29 Allowed 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 126.06 1.744 . . . . 73.25 113.409 168.008 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.41 121.25 13.9 Favored 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 123.306 0.642 . . . . 73.200000000000003 111.804 -176.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.9 tt0 -170.89 -60.86 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 106.875 -1.528 . . . . 73.439999999999998 106.875 176.178 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -131.67 -24.78 2.18 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 114.39 -1.277 . . . . 75.530000000000001 109.875 176.03 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.417 HD22 ' HG2' ' A' ' 20' ' ' GLN . 2.4 tt -59.96 133.02 55.7 Favored 'General case' 0 N--CA 1.482 1.147 0 N-CA-C 108.453 -0.943 . . . . 72.219999999999999 108.453 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 63.0 m-20 -72.68 77.61 1.1 Allowed 'General case' 0 CA--C 1.548 0.871 0 O-C-N 124.147 0.904 . . . . 74.319999999999993 111.159 -174.053 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.417 ' HG2' HD22 ' A' ' 18' ' ' LEU . 4.1 pt20 -167.59 96.46 0.46 Allowed 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.128 1.371 . . . . 74.150000000000006 109.286 176.157 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -127.17 -164.19 11.62 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.864 -0.894 . . . . 73.310000000000002 110.864 172.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 56.65 29.34 15.55 Favored 'General case' 0 N--CA 1.499 1.989 0 CA-C-O 122.854 1.311 . . . . 54.539999999999999 109.453 -173.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.9 mt -145.71 -48.17 0.22 Allowed 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 105.65 -1.982 . . . . 64.109999999999999 105.65 -178.473 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.673 ' HB3' ' HE1' ' A' ' 12' ' ' TYR . 28.4 mtm -128.97 173.88 10.02 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 112.71 -2.041 . . . . 72.310000000000002 109.09 -176.034 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.17 -37.09 3.66 Favored Glycine 0 N--CA 1.473 1.101 0 N-CA-C 111.796 -0.522 . . . . 31.239999999999998 111.796 178.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.437 ' HA ' ' HZ ' ' A' ' 55' ' ' PHE . 73.8 ttt180 -68.13 -38.0 81.73 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.552 0.741 . . . . 63.119999999999997 109.496 174.103 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.406 ' O ' HG13 ' A' ' 31' ' ' ILE . . . -59.64 -43.19 93.95 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-N 115.369 -0.832 . . . . 63.310000000000002 111.101 173.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.403 ' HG ' ' CE2' ' A' ' 12' ' ' TYR . 0.8 OUTLIER -58.28 -41.8 85.16 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 124.487 1.115 . . . . 74.540000000000006 110.462 -178.654 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -57.83 -41.62 82.66 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 114.999 -1.0 . . . . 74.129999999999995 111.401 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.41 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 21.7 m120 -67.03 -40.07 87.15 Favored 'General case' 0 N--CA 1.484 1.267 0 O-C-N 123.171 0.295 . . . . 72.209999999999994 111.208 177.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.406 HG13 ' O ' ' A' ' 27' ' ' ALA . 51.2 mt -57.21 -45.98 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 C-N-CA 123.474 0.71 . . . . 73.109999999999999 110.301 179.421 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.63 -40.71 98.91 Favored Glycine 0 C--N 1.345 1.046 0 CA-C-N 114.292 -1.322 . . . . 55.219999999999999 112.811 179.24 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.2 mt -57.45 -51.29 70.04 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.233 0.613 . . . . 64.040000000000006 110.184 178.33 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' A' ' 30' ' ' ASN . 23.0 mm-40 -64.2 -36.54 84.4 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 124.069 0.855 . . . . 75.340000000000003 111.65 -176.314 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -64.87 -48.04 75.71 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.07 0.548 . . . . 74.409999999999997 111.421 175.677 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -60.48 -32.96 71.92 Favored 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 123.413 0.685 . . . . 75.450000000000003 111.092 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -69.34 -26.07 64.51 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.125 0.97 . . . . 65.5 112.187 178.298 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 27.7 mtm -90.68 -14.9 31.33 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 122.678 0.391 . . . . 71.319999999999993 111.446 176.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 105.01 7.81 37.61 Favored Glycine 0 C--N 1.345 1.053 0 CA-C-N 116.614 -0.266 . . . . 50.0 113.165 -176.542 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.9 mmpt? -90.59 45.88 1.29 Allowed 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.95 0.9 . . . . 62.509999999999998 109.588 176.374 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.435 ' HA ' ' HB3' ' A' ' 44' ' ' ALA . . . -67.43 -23.66 65.56 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.354 1.061 . . . . 74.150000000000006 111.93 -176.335 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.5 tpt85 -62.06 -50.42 72.05 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.796 0.838 . . . . 51.119999999999997 110.36 174.567 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -62.83 -47.27 84.14 Favored 'General case' 0 C--N 1.35 0.623 0 O-C-N 123.776 0.672 . . . . 71.010000000000005 109.362 174.637 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.435 ' HB3' ' HA ' ' A' ' 41' ' ' ALA . . . -55.64 -37.43 68.2 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.012 -0.995 . . . . 63.539999999999999 112.148 -176.342 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.17 -48.39 80.27 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 123.441 0.463 . . . . 75.450000000000003 111.012 178.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -58.47 -34.24 70.67 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.851 0.86 . . . . 72.150000000000006 110.964 175.311 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 3.1 m-30 -76.6 -37.95 55.59 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.504 1.122 . . . . 61.329999999999998 112.24 -174.671 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -76.26 -25.19 54.7 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 122.26 0.224 . . . . 74.219999999999999 110.623 176.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.443 ' CD1' ' HB3' ' A' ' 90' ' ' MET . 65.4 t80 -68.29 -51.36 45.8 Favored 'General case' 0 CA--C 1.537 0.466 0 O-C-N 123.699 0.625 . . . . 62.329999999999998 110.087 174.04 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.412 ' O ' HG23 ' A' ' 54' ' ' VAL . 57.3 mtt180 -59.6 -45.43 91.94 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 115.379 -0.828 . . . . 73.040000000000006 110.966 176.74 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.08 -44.88 91.94 Favored 'General case' 0 C--N 1.356 0.858 0 O-C-N 123.518 0.511 . . . . 72.340000000000003 110.026 177.194 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.51 -38.66 78.16 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 123.993 0.808 . . . . 63.409999999999997 111.679 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 49' ' ' PHE . 74.2 mt -64.54 -44.73 96.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 O-C-N 123.439 0.462 . . . . 72.129999999999995 110.9 176.693 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 50' ' ' ARG . 61.4 t -63.05 -45.9 97.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 C-N-CA 122.991 0.516 . . . . 53.240000000000002 111.012 -177.391 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.437 ' HZ ' ' HA ' ' A' ' 26' ' ' ARG . 46.7 m-85 -65.71 -46.3 79.46 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.074 0.549 . . . . 74.420000000000002 110.863 178.466 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -58.92 -37.7 77.27 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.815 0.846 . . . . 75.129999999999995 112.005 176.354 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 46.0 tptt -67.35 -31.96 72.58 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 124.18 0.992 . . . . 72.420000000000002 110.903 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -88.07 -9.15 54.24 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.517 0.727 . . . . 61.32 111.446 172.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 68.13 22.91 8.15 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.886 1.274 . . . . 75.109999999999999 111.753 -178.135 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -79.27 95.95 5.81 Favored 'General case' 0 C--O 1.241 0.609 0 N-CA-C 108.453 -0.943 . . . . 61.439999999999998 108.453 177.637 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.622 HG22 ' HB3' ' A' ' 101' ' ' GLU . 28.7 p -61.38 -38.27 86.42 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 114.526 -1.215 . . . . 72.5 112.672 -172.408 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -71.72 -38.34 70.51 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 123.488 0.492 . . . . 75.239999999999995 111.337 -173.673 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -69.38 -44.21 66.17 Favored Glycine 0 C--N 1.339 0.7 0 N-CA-C 111.668 -0.573 . . . . 53.0 111.668 177.555 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 55.7 tp -59.39 -37.8 78.89 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.135 0.974 . . . . 62.200000000000003 110.604 175.028 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -65.81 -43.72 87.78 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.084 1.354 . . . . 75.329999999999998 110.782 178.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -66.87 -42.38 85.74 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.237 -0.892 . . . . 73.129999999999995 110.659 178.084 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -72.26 -30.58 64.99 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.02 0.928 . . . . 64.25 111.273 -177.32 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.04 -49.11 48.38 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.813 0.845 . . . . 64.340000000000003 111.826 -178.345 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -67.0 -42.45 84.98 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 115.482 -0.781 . . . . 72.239999999999995 110.829 174.372 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.3 t -65.79 -28.77 69.26 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 122.625 0.37 . . . . 73.040000000000006 111.175 -178.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.402 HD22 HD11 ' A' ' 75' ' ' ILE . 0.9 OUTLIER -59.16 -53.81 54.06 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.642 0.777 . . . . 73.439999999999998 109.315 177.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.491 ' HA ' HD12 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -70.59 -27.07 63.83 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 116.247 -0.433 . . . . 62.130000000000003 111.994 -179.645 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -65.06 -33.85 77.02 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.467 0.707 . . . . 74.340000000000003 111.285 173.665 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.406 ' O ' ' HB1' ' A' ' 41' ' ' ALA . . . -70.11 -47.16 62.97 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 109.732 -0.47 . . . . 73.319999999999993 109.732 171.809 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.716 HD13 ' HA ' ' A' ' 88' ' ' LYS . 78.3 mt -60.57 -44.56 96.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 124.191 0.996 . . . . 72.239999999999995 113.58 -174.803 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 14.6 t -69.75 -19.33 63.53 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 116.325 -0.398 . . . . 74.430000000000007 110.371 179.646 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -96.17 -11.37 26.27 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 123.99 0.916 . . . . 71.400000000000006 112.234 177.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 69.4 mt -64.55 133.06 95.57 Favored Pre-proline 0 N--CA 1.488 1.436 0 N-CA-C 108.786 -0.82 . . . . 70.519999999999996 108.786 174.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -66.25 -162.43 0.06 OUTLIER 'Trans proline' 0 C--N 1.379 2.15 0 C-N-CA 122.454 2.103 . . . . 65.109999999999999 111.873 172.665 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -58.97 -47.44 85.13 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.378 0.671 . . . . 71.310000000000002 110.866 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 59.74 -170.28 0.14 Allowed 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.297 1.039 . . . . 53.130000000000003 113.299 167.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -109.88 -39.04 5.19 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.526 1.13 . . . . 64.409999999999997 109.109 169.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -110.84 45.78 1.27 Allowed Glycine 0 C--N 1.351 1.415 0 CA-C-N 116.05 -0.523 . . . . 74.109999999999999 113.413 -175.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.06 -47.55 28.29 Favored 'General case' 0 CA--C 1.553 1.073 0 CA-C-O 121.191 0.519 . . . . 65.519999999999996 109.917 -179.174 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -69.6 -42.26 74.64 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.704 1.202 . . . . 72.219999999999999 112.269 -173.01 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -66.72 -36.94 83.67 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 122.906 0.482 . . . . 72.219999999999999 110.653 179.418 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.13 -39.58 86.62 Favored 'General case' 0 C--N 1.348 0.503 0 CA-C-N 115.698 -0.683 . . . . 43.520000000000003 110.623 175.64 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.716 ' HA ' HD13 ' A' ' 75' ' ' ILE . 11.1 tmtt? -61.84 -37.16 83.44 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 123.968 0.907 . . . . 61.240000000000002 110.131 178.672 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -67.12 -29.97 69.85 Favored 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 124.485 1.114 . . . . 63.329999999999998 111.018 -178.187 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.443 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 41.6 mtm -67.73 -32.72 73.54 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.722 0.809 . . . . 62.240000000000002 112.926 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -53.7 -33.37 55.28 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.049 0.54 . . . . 75.430000000000007 111.709 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.44 -39.55 92.19 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.357 0.663 . . . . 72.010000000000005 110.907 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.419 ' HB2' ' HE1' ' A' ' 49' ' ' PHE . 28.5 mmtp -59.7 -52.29 66.13 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 123.651 0.595 . . . . 74.109999999999999 111.381 -178.525 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.406 ' HA ' ' CE3' ' A' ' 97' ' ' TRP . . . -60.68 -32.24 71.46 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 124.155 0.909 . . . . 74.340000000000003 111.837 -177.581 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.464 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 8.1 mm-40 -75.96 -39.89 55.08 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.808 0.843 . . . . 74.219999999999999 111.927 176.508 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -68.83 -35.17 76.64 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 122.849 0.459 . . . . 73.530000000000001 110.84 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' TRP . . . . . 0.406 ' CE3' ' HA ' ' A' ' 94' ' ' ALA . 41.4 m0 -61.9 -46.56 88.86 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.148 -0.933 . . . . 54.32 109.2 172.19 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 32.5 tp -63.24 -37.85 88.86 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 123.723 0.809 . . . . 65.340000000000003 111.82 -178.521 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.464 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 12.0 mm100 -68.95 -39.82 79.28 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 122.998 0.519 . . . . 74.049999999999997 110.849 179.064 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.92 -28.2 61.41 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 115.875 -0.602 . . . . 53.009999999999998 111.147 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.622 ' HB3' HG22 ' A' ' 61' ' ' THR . 71.5 mm-40 -71.92 -43.58 65.05 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.466 0.706 . . . . 62.329999999999998 110.974 175.319 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -89.54 87.76 7.17 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.145 0.578 . . . . 55.310000000000002 110.167 -175.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 16.9 m-80 -94.26 169.61 10.11 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 124.806 1.243 . . . . 74.510000000000005 111.406 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 42.3 t-20 . . . . . 0 CA--C 1.554 1.128 0 N-CA-C 108.069 -1.086 . . . . 74.319999999999993 108.069 177.356 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.143 0 N-CA-C 109.188 -0.671 . . . . 72.239999999999995 109.188 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.652 ' HB2' HD12 ' A' ' 5' ' ' ILE . 4.4 p-10 -161.75 39.75 0.13 Allowed 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.793 0.837 . . . . 73.430000000000007 110.753 -175.502 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -67.2 -29.65 69.37 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.543 0.737 . . . . 74.340000000000003 110.817 178.38 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -63.47 -31.43 72.59 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.955 0.902 . . . . 70.420000000000002 110.881 178.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.7 HG23 HG23 ' A' ' 31' ' ' ILE . 73.3 mt -69.99 -51.31 40.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 CA-C-N 114.938 -1.028 . . . . 63.240000000000002 109.919 174.775 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.85 -25.96 61.42 Favored 'General case' 0 N--CA 1.484 1.258 0 O-C-N 124.178 0.924 . . . . 63.240000000000002 111.675 176.558 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -70.97 -45.71 63.62 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 125.084 1.354 . . . . 63.130000000000003 110.265 176.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.4 ' HB2' HG12 ' A' ' 31' ' ' ILE . 23.4 m-85 -72.97 -24.64 60.81 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.21 0.604 . . . . 74.310000000000002 111.342 178.54 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -61.09 -37.48 82.88 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.762 0.825 . . . . 63.140000000000001 110.401 174.515 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -65.38 -26.08 67.85 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.664 0.786 . . . . 72.400000000000006 111.129 177.531 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.8 -10.97 59.18 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.641 0.776 . . . . 55.32 111.695 -179.011 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.624 ' CE2' ' HG ' ' A' ' 28' ' ' LEU . 2.6 t80 -113.99 137.95 51.02 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.043 0.537 . . . . 74.340000000000003 109.603 -178.257 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -140.72 55.9 1.58 Allowed 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.55 0.74 . . . . 72.439999999999998 111.057 -177.485 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.8 mtmm 47.49 99.44 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.009 0 C-N-CA 125.384 1.473 . . . . 71.549999999999997 113.704 176.423 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.713 ' HB1' ' HA2' ' A' ' 21' ' ' GLY . . . -80.59 75.21 7.48 Favored 'General case' 0 C--O 1.248 0.996 0 C-N-CA 123.985 0.914 . . . . 72.420000000000002 113.406 -166.142 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -176.82 -20.35 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.263 1.025 . . . . 75.239999999999995 110.828 176.567 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -62.21 -51.59 67.16 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.662 0.785 . . . . 73.049999999999997 111.009 -179.53 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 82.6 mt -88.09 9.0 24.1 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 115.207 -0.906 . . . . 41.539999999999999 111.343 179.484 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 58.44 29.52 18.39 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 125.062 1.345 . . . . 63.43 111.178 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -135.01 87.74 2.36 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.754 1.222 . . . . 71.319999999999993 109.528 -176.334 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.713 ' HA2' ' HB1' ' A' ' 15' ' ' ALA . . . -85.1 -17.38 63.02 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 112.142 -0.383 . . . . 51.439999999999998 112.142 174.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -54.57 -37.28 65.31 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 124.44 1.096 . . . . 72.409999999999997 111.41 176.281 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 77.1 mt -74.62 -18.39 60.56 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.622 0.769 . . . . 72.140000000000001 111.991 -177.202 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.452 ' HB2' ' HB2' ' A' ' 15' ' ' ALA . 26.7 mtm -131.01 -154.44 0.63 Allowed 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.157 0.983 . . . . 52.340000000000003 109.838 -174.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.76 -60.02 4.8 Favored Glycine 0 C--N 1.347 1.153 0 C-N-CA 123.498 0.57 . . . . 51.219999999999999 111.897 -170.378 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.417 ' O ' ' HB3' ' A' ' 29' ' ' TYR . 29.9 ttt85 -61.21 -31.45 71.22 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.033 1.333 . . . . 73.030000000000001 111.537 -177.203 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.62 ' HB3' ' HD2' ' A' ' 12' ' ' TYR . . . -66.34 -46.57 76.37 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 118.42 -0.8 . . . . 73.109999999999999 110.67 179.756 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.624 ' HG ' ' CE2' ' A' ' 12' ' ' TYR . 20.5 mt -59.73 -32.09 70.22 Favored 'General case' 0 N--CA 1.499 1.975 0 CA-C-N 118.416 0.553 . . . . 62.119999999999997 110.997 173.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.417 ' HB3' ' O ' ' A' ' 26' ' ' ARG . 74.0 t80 -62.54 -48.28 80.21 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 123.346 0.658 . . . . 72.140000000000001 110.273 176.651 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 -64.96 -37.37 87.41 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 123.216 0.606 . . . . 63.240000000000002 111.349 179.082 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.7 HG23 HG23 ' A' ' 5' ' ' ILE . 90.1 mt -64.72 -43.37 96.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 123.704 0.802 . . . . 72.310000000000002 109.664 177.024 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.36 -38.53 96.43 Favored Glycine 0 C--N 1.345 1.049 0 O-C-N 123.907 0.754 . . . . 64.439999999999998 112.07 178.456 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 89.6 mt -57.57 -42.23 82.68 Favored 'General case' 0 C--N 1.357 0.893 0 C-N-CA 123.361 0.664 . . . . 53.520000000000003 110.34 177.08 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -57.86 -48.36 80.02 Favored 'General case' 0 N--CA 1.478 0.972 0 O-C-N 123.931 0.769 . . . . 74.25 111.054 177.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.536 ' HE3' ' CE2' ' A' ' 47' ' ' TYR . 5.0 mptp? -59.68 -49.78 76.42 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.226 0.61 . . . . 72.340000000000003 110.489 178.557 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -59.47 -43.34 93.25 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.228 1.011 . . . . 52.039999999999999 110.973 -173.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -69.51 -27.38 65.13 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.922 0.889 . . . . 74.420000000000002 111.908 -178.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 76.5 mtm -89.98 -11.13 42.55 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.08 0.552 . . . . 64.409999999999997 111.849 178.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 95.58 4.23 60.77 Favored Glycine 0 N--CA 1.471 1.023 0 O-C-N 122.881 0.113 . . . . 64.319999999999993 113.067 -179.182 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -85.57 38.94 0.76 Allowed 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 124.247 1.019 . . . . 65.510000000000005 109.852 175.4 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.97 -15.77 63.09 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.212 1.005 . . . . 43.240000000000002 113.187 -164.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.418 ' HB2' HG23 ' A' ' 78' ' ' ILE . 8.6 tpt180 -64.58 -46.28 83.41 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 122.848 0.459 . . . . 65.540000000000006 109.94 173.566 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -69.43 -39.55 77.77 Favored 'General case' 0 C--N 1.345 0.404 0 CA-C-N 115.97 -0.559 . . . . 74.140000000000001 109.694 176.545 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.34 -44.17 68.26 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.955 0.902 . . . . 72.420000000000002 111.15 178.327 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.3 -39.52 79.57 Favored 'General case' 0 C--N 1.349 0.579 0 O-C-N 124.557 1.16 . . . . 74.450000000000003 110.953 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -63.31 -44.53 94.7 Favored 'General case' 0 C--N 1.362 1.135 0 C-N-CA 123.783 0.833 . . . . 60.340000000000003 110.728 176.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.536 ' CE2' ' HE3' ' A' ' 35' ' ' LYS . 65.9 m-85 -66.2 -43.12 87.7 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.588 0.755 . . . . 71.230000000000004 111.774 -178.045 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.444 ' HB2' ' HG ' ' A' ' 71' ' ' LEU . 25.9 m-85 -67.83 -31.56 71.5 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 123.877 0.736 . . . . 74.019999999999996 110.704 177.723 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.439 ' O ' HG13 ' A' ' 53' ' ' ILE . 36.5 t80 -68.18 -52.7 31.52 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.034 0.934 . . . . 73.219999999999999 110.575 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.424 ' O ' HG23 ' A' ' 54' ' ' VAL . 68.7 mtt180 -67.49 -35.23 78.75 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.617 0.767 . . . . 74.340000000000003 110.335 -178.664 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.91 -45.22 93.25 Favored 'General case' 0 C--N 1.353 0.757 0 O-C-N 124.284 0.99 . . . . 51.25 109.727 172.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.43 -35.67 81.66 Favored 'General case' 0 C--N 1.355 0.82 0 O-C-N 124.151 0.907 . . . . 63.310000000000002 111.642 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 49' ' ' PHE . 83.0 mt -62.3 -42.13 94.23 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.278 0 C-N-CA 123.569 0.747 . . . . 74.510000000000005 110.167 176.093 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.446 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 79.9 t -67.84 -48.78 74.12 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.759 0 C-N-CA 123.35 0.66 . . . . 73.329999999999998 110.258 178.61 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -59.3 -32.63 70.22 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.262 0.625 . . . . 55.219999999999999 111.639 178.718 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -72.71 -52.65 14.32 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.365 0.666 . . . . 75.439999999999998 111.244 -178.092 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.439 ' HE3' HG22 ' A' ' 53' ' ' ILE . 19.2 ptpt -65.62 -29.21 69.77 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.181 0.592 . . . . 75.319999999999993 112.316 -179.531 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' A' ' 54' ' ' VAL . 10.5 mm-40 -85.15 -11.12 55.8 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 122.88 0.472 . . . . 72.239999999999995 110.87 174.637 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 65.78 29.94 10.37 Favored 'General case' 0 C--N 1.356 0.848 0 C-N-CA 125.004 1.321 . . . . 64.219999999999999 112.335 176.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -84.69 85.71 7.41 Favored 'General case' 0 C--O 1.244 0.774 0 N-CA-C 107.536 -1.283 . . . . 73.25 107.536 169.465 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.426 ' O ' ' HG3' ' A' ' 65' ' ' ARG . 35.7 m -61.53 -43.62 98.54 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.347 1.059 . . . . 75.109999999999999 112.033 -174.145 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -63.97 -39.49 94.24 Favored 'General case' 0 N--CA 1.484 1.258 0 O-C-N 123.702 0.626 . . . . 71.329999999999998 111.096 -175.296 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -68.11 -37.34 87.07 Favored Glycine 0 C--N 1.341 0.813 0 CA-C-N 116.033 -0.531 . . . . 51.32 112.035 175.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 44.3 tp -63.44 -35.22 79.7 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.808 0.843 . . . . 74.349999999999994 110.302 175.164 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.555 ' HG2' HD11 ' A' ' 98' ' ' LEU . 60.8 mtp180 -64.17 -46.84 82.21 Favored 'General case' 0 C--N 1.362 1.109 0 C-N-CA 123.477 0.711 . . . . 61.109999999999999 110.017 176.627 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 23.4 ttt-85 -70.44 -34.39 72.42 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 124.378 1.049 . . . . 73.230000000000004 110.257 -175.59 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.452 ' O ' ' HB2' ' A' ' 71' ' ' LEU . . . -74.73 -37.67 62.47 Favored 'General case' 0 C--N 1.351 0.659 0 C-N-CA 123.847 0.859 . . . . 54.219999999999999 110.639 179.348 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.85 -43.51 75.3 Favored 'General case' 0 C--N 1.356 0.855 0 O-C-N 123.948 0.78 . . . . 73.530000000000001 110.999 179.107 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -60.54 -52.54 64.73 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 124.096 0.872 . . . . 72.349999999999994 111.004 178.192 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.6 t -70.08 -27.5 64.67 Favored 'General case' 0 C--N 1.345 0.372 0 O-C-N 124.201 0.938 . . . . 74.420000000000002 111.039 -176.448 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.475 ' O ' HG12 ' A' ' 75' ' ' ILE . 1.2 tt -59.01 -51.55 69.6 Favored 'General case' 0 C--N 1.361 1.104 0 N-CA-C 108.758 -0.83 . . . . 71.510000000000005 108.758 172.725 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.534 ' HG2' ' HB1' ' A' ' 91' ' ' ALA . 54.7 mtpt -69.52 -32.46 71.31 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.754 0.821 . . . . 71.519999999999996 111.948 -177.533 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -68.3 -33.46 74.37 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.4 0.68 . . . . 71.340000000000003 109.718 174.376 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.517 ' O ' HG13 ' A' ' 78' ' ' ILE . . . -69.11 -39.54 78.88 Favored 'General case' 0 C--O 1.215 -0.755 0 CA-C-O 118.66 -0.686 . . . . 72.450000000000003 110.013 174.422 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.595 HG21 ' HG2' ' A' ' 88' ' ' LYS . 32.7 mm -60.8 -47.17 94.44 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 C-N-CA 123.405 0.682 . . . . 74.319999999999993 111.485 -177.323 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 34.8 p -67.63 -18.39 64.95 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-N 114.703 -1.135 . . . . 63.409999999999997 111.293 177.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -99.06 -10.01 23.14 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.02 0.928 . . . . 65.010000000000005 112.03 177.313 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.517 HG13 ' O ' ' A' ' 74' ' ' ALA . 63.8 mt -68.78 131.39 91.19 Favored Pre-proline 0 N--CA 1.485 1.291 0 CA-C-O 118.768 -0.634 . . . . 45.43 109.345 177.115 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -57.14 133.2 56.12 Favored 'Trans proline' 0 C--N 1.374 1.892 0 C-N-CA 122.527 2.151 . . . . 75.040000000000006 110.636 167.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -80.99 48.87 1.15 Allowed 'General case' 0 CA--C 1.559 1.293 0 CA-C-O 121.737 0.78 . . . . 71.400000000000006 111.265 -177.165 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -67.24 -62.37 1.46 Allowed 'General case' 0 C--N 1.353 0.751 0 CA-C-N 115.438 -0.801 . . . . 71.140000000000001 109.351 178.42 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -160.1 -60.37 0.06 Allowed 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 108.381 -0.97 . . . . 73.530000000000001 108.381 -176.433 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -76.01 4.76 44.87 Favored Glycine 0 C--N 1.351 1.379 0 N-CA-C 115.357 0.903 . . . . 40.020000000000003 115.357 -169.657 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.449 ' HG2' ' HB ' ' A' ' 78' ' ' ILE . 3.3 tmm_? -62.19 -28.8 69.93 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 108.842 -0.799 . . . . 55.340000000000003 108.842 172.181 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -63.37 -59.91 4.07 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.68 1.192 . . . . 64.430000000000007 111.58 177.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.37 -31.52 70.95 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 122.968 0.507 . . . . 72.519999999999996 111.45 -175.064 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.12 -34.17 74.63 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.548 -0.751 . . . . 71.340000000000003 111.035 178.167 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.595 ' HG2' HG21 ' A' ' 75' ' ' ILE . 8.3 tmtt? -63.22 -36.85 85.03 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 123.76 0.824 . . . . 72.150000000000006 108.924 176.532 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.464 ' HA ' ' HE3' ' A' ' 92' ' ' LYS . 43.7 mt-10 -68.52 -30.62 69.47 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 115.015 -0.993 . . . . 43.020000000000003 110.823 178.694 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 61.1 mtm -67.34 -39.5 85.78 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.957 0.503 . . . . 71.510000000000005 110.744 174.053 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.534 ' HB1' ' HG2' ' A' ' 72' ' ' LYS . . . -64.88 -31.65 72.99 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 115.639 -0.709 . . . . 64.510000000000005 110.739 176.249 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.479 ' O ' ' HG2' ' A' ' 96' ' ' GLU . 10.1 mtmp? -63.27 -42.59 99.13 Favored 'General case' 0 C--N 1.362 1.137 0 O-C-N 123.649 0.593 . . . . 73.340000000000003 110.438 174.584 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.428 ' HB2' ' HE1' ' A' ' 49' ' ' PHE . 69.1 mmtt -58.56 -42.38 87.82 Favored 'General case' 0 N--CA 1.482 1.142 0 O-C-N 123.884 0.74 . . . . 74.019999999999996 110.947 178.38 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.49 -37.65 88.11 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.722 0.809 . . . . 64.129999999999995 111.497 -179.566 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -66.87 -39.42 87.52 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.663 0.785 . . . . 74.209999999999994 110.853 175.289 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.479 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 17.4 mm-40 -63.2 -52.06 63.84 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.614 0.766 . . . . 61.439999999999998 110.418 179.684 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 28.0 m0 -59.94 -32.9 71.22 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 124.111 0.882 . . . . 74.310000000000002 111.106 179.458 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.555 HD11 ' HG2' ' A' ' 65' ' ' ARG . 25.8 tp -66.48 -38.62 87.69 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 123.787 0.68 . . . . 71.400000000000006 110.772 179.043 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 12.4 mm-40 -68.65 -29.74 68.29 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 122.318 0.247 . . . . 62.32 110.616 177.105 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.59 -46.58 68.98 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.523 0.729 . . . . 53.210000000000001 110.71 177.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -72.4 -40.36 67.26 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.707 0.803 . . . . 74.409999999999997 112.21 -179.291 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 77.5 mm-40 -76.74 103.44 6.71 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 109.309 -0.626 . . . . 71.230000000000004 109.309 177.581 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 42.6 t-20 -146.75 116.46 7.17 Favored 'General case' 0 C--O 1.242 0.7 0 N-CA-C 108.969 -0.752 . . . . 54.310000000000002 108.969 -176.214 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 7.8 t30 . . . . . 0 C--O 1.253 1.266 0 C-N-CA 124.32 1.048 . . . . 70.420000000000002 108.866 -179.535 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.047 0 N-CA-C 110.142 -0.318 . . . . 61.520000000000003 110.142 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -60.28 -24.26 64.81 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 123.697 0.799 . . . . 55.350000000000001 112.942 -171.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -58.54 -55.37 35.95 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 124.552 1.141 . . . . 73.409999999999997 110.498 173.08 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -63.81 -43.54 95.94 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.295 1.038 . . . . 63.130000000000003 110.93 -179.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 64.6 mt -57.36 -52.78 52.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 O-C-N 124.612 1.195 . . . . 74.5 110.146 -177.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.4 ' O ' ' HG3' ' A' ' 10' ' ' LYS . . . -59.74 -37.77 79.87 Favored 'General case' 0 C--N 1.357 0.912 0 O-C-N 124.315 1.009 . . . . 72.120000000000005 110.967 179.755 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -67.67 -39.35 84.49 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.869 0.867 . . . . 72.319999999999993 111.456 -178.282 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -75.19 -23.28 57.66 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 122.86 0.464 . . . . 74.430000000000007 110.652 177.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.447 ' HA ' ' HB3' ' A' ' 12' ' ' TYR . 44.4 mt-10 -79.28 -23.44 43.6 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.561 0.744 . . . . 62.43 110.78 172.079 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.4 ' HG3' ' O ' ' A' ' 6' ' ' ALA . 93.1 mttt -79.31 -12.32 59.93 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.146 0.578 . . . . 71.310000000000002 110.113 172.798 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -101.24 -14.57 17.62 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.983 0.913 . . . . 63.030000000000001 110.639 170.666 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.447 ' HB3' ' HA ' ' A' ' 9' ' ' GLU . 73.5 t80 -98.41 164.08 12.43 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 124.505 1.122 . . . . 73.510000000000005 108.849 173.822 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.402 ' HG3' ' CD2' ' A' ' 12' ' ' TYR . 98.9 mttt 61.79 -81.04 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 124.756 1.222 . . . . 61.539999999999999 109.867 -175.368 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -73.77 83.54 1.63 Allowed 'General case' 0 CA--C 1.552 1.019 0 N-CA-C 105.685 -1.969 . . . . 55.539999999999999 105.685 165.277 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -100.54 -56.95 2.22 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.572 -0.74 . . . . 41.439999999999998 110.292 -173.596 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -166.72 63.2 0.09 Allowed 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 108.492 -0.929 . . . . 74.239999999999995 108.492 173.212 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 59.3 -81.83 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 125.416 1.486 . . . . 75.0 113.156 175.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.6 tt -76.96 82.29 3.5 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.4 1.08 . . . . 72.0 108.998 -176.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.526 ' HA ' HD12 ' A' ' 23' ' ' LEU . 85.3 m-20 -74.43 86.84 2.04 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.869 0.868 . . . . 60.340000000000003 110.561 -174.648 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -66.48 -49.58 66.13 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 114.935 -1.03 . . . . 64.140000000000001 110.568 175.552 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 144.62 -49.63 0.68 Allowed Glycine 0 C--N 1.34 0.763 0 N-CA-C 108.819 -1.712 . . . . 64.329999999999998 108.819 -168.531 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -43.0 -38.94 2.44 Favored 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 126.484 1.914 . . . . 62.310000000000002 113.177 174.597 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.526 HD12 ' HA ' ' A' ' 19' ' ' ASN . 71.4 mt -70.09 -10.98 60.49 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.545 1.138 . . . . 73.140000000000001 113.072 -174.255 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 33.4 mtm -127.01 -167.55 1.75 Allowed 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.965 1.306 . . . . 73.140000000000001 108.779 -174.439 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.94 -60.72 4.42 Favored Glycine 0 C--N 1.346 1.138 0 N-CA-C 111.214 -0.754 . . . . 51.130000000000003 111.214 -177.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 42.3 ttp180 -64.57 -42.73 95.46 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.3 0.64 . . . . 73.450000000000003 109.632 170.131 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.429 ' O ' HG13 ' A' ' 31' ' ' ILE . . . -60.62 -43.26 97.71 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 123.945 0.778 . . . . 74.200000000000003 110.824 173.001 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.22 -35.49 81.23 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 124.375 1.07 . . . . 60.32 110.537 -179.686 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -65.01 -42.13 94.7 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 114.519 -1.218 . . . . 72.310000000000002 109.442 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -64.47 -36.72 85.11 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 124.009 0.818 . . . . 71.239999999999995 111.403 -178.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.43 ' O ' ' HD3' ' A' ' 35' ' ' LYS . 28.0 mt -65.16 -45.31 94.39 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.811 0 O-C-N 123.928 0.767 . . . . 73.540000000000006 109.499 175.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.55 -34.43 89.91 Favored Glycine 0 C--N 1.354 1.573 0 CA-C-N 115.423 -0.808 . . . . 55.43 113.366 -179.377 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 97.9 mt -57.78 -40.56 80.11 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.721 0.808 . . . . 65.230000000000004 110.246 174.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -74.79 -26.77 59.97 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.041 -0.981 . . . . 64.530000000000001 112.363 -178.092 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.43 ' HD3' ' O ' ' A' ' 31' ' ' ILE . 4.6 mptp? -64.46 -42.11 96.13 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 109.292 -0.633 . . . . 74.310000000000002 109.292 170.297 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -67.41 -30.75 70.58 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.709 0.803 . . . . 71.439999999999998 110.612 176.51 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -68.73 -25.79 64.92 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.869 0.868 . . . . 55.509999999999998 111.467 175.392 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 70.0 mtm -87.05 -4.68 59.18 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.036 0.534 . . . . 75.319999999999993 111.64 176.546 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.9 -1.8 87.78 Favored Glycine 0 C--N 1.341 0.821 0 N-CA-C 112.464 -0.254 . . . . 62.240000000000002 112.464 -173.509 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -84.36 67.73 9.96 Favored 'General case' 0 C--N 1.353 0.758 0 N-CA-C 108.374 -0.973 . . . . 60.109999999999999 108.374 175.237 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.66 -16.32 62.25 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 114.531 -1.213 . . . . 62.350000000000001 111.824 -176.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.493 ' HG2' HD13 ' A' ' 78' ' ' ILE . 2.1 tmm_? -72.61 -50.28 26.37 Favored 'General case' 0 C--N 1.355 0.839 0 N-CA-C 108.572 -0.899 . . . . 73.239999999999995 108.572 173.622 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -61.32 -34.57 75.47 Favored 'General case' 0 N--CA 1.479 1.001 0 O-C-N 124.115 0.885 . . . . 64.409999999999997 111.183 173.262 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.55 -51.75 68.5 Favored 'General case' 0 C--N 1.35 0.592 0 N-CA-C 109.381 -0.6 . . . . 72.310000000000002 109.381 175.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.63 -43.01 79.83 Favored 'General case' 0 C--N 1.351 0.647 0 O-C-N 124.726 1.266 . . . . 75.549999999999997 111.282 178.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.454 ' HG2' ' O ' ' A' ' 42' ' ' ARG . 72.3 mm-40 -53.35 -52.86 57.86 Favored 'General case' 0 C--N 1.355 0.835 0 C-N-CA 123.625 0.77 . . . . 71.340000000000003 110.576 178.255 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -72.46 -29.52 63.74 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.201 1.001 . . . . 73.420000000000002 111.752 -174.363 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -72.05 -32.88 67.51 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.087 0.555 . . . . 44.43 110.817 176.36 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -67.36 -50.63 59.02 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.597 -0.729 . . . . 72.329999999999998 110.129 175.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -65.1 -32.11 73.65 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 115.181 -0.918 . . . . 73.349999999999994 110.367 -178.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.95 -46.27 78.75 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 115.602 -0.726 . . . . 24.329999999999998 109.702 172.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.1 -32.63 72.31 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 124.191 0.932 . . . . 50.140000000000001 111.686 -179.521 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 72.2 mt -59.89 -49.92 82.09 Favored 'Isoleucine or valine' 0 C--N 1.359 0.997 0 C-N-CA 123.852 0.861 . . . . 75.099999999999994 110.089 173.195 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 76.1 t -59.45 -45.9 93.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 123.265 0.626 . . . . 70.349999999999994 110.964 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -63.67 -34.33 77.62 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 115.03 -0.986 . . . . 64.030000000000001 111.081 178.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -71.44 -40.12 70.56 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 123.023 0.529 . . . . 74.219999999999999 111.44 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.14 -44.91 71.79 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 123.17 0.588 . . . . 65.230000000000004 110.836 173.795 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -83.02 -9.0 59.49 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 115.202 -0.908 . . . . 71.409999999999997 111.819 178.255 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 59.61 29.19 18.74 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 124.831 1.252 . . . . 63.219999999999999 112.063 178.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -81.04 99.47 8.48 Favored 'General case' 0 C--O 1.241 0.606 0 C-N-CA 124.867 1.267 . . . . 64.150000000000006 108.084 178.482 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.448 HG22 ' HB3' ' A' ' 101' ' ' GLU . 35.4 p -62.04 -40.54 96.08 Favored 'General case' 0 C--O 1.214 -0.781 0 C-N-CA 123.83 0.852 . . . . 73.120000000000005 112.745 -174.527 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -64.78 -39.83 94.25 Favored 'General case' 0 N--CA 1.486 1.336 0 O-C-N 123.651 0.594 . . . . 70.120000000000005 111.5 -175.02 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -73.11 -45.06 33.23 Favored Glycine 0 C--N 1.344 1.021 0 O-C-N 123.551 0.532 . . . . 61.439999999999998 111.934 178.568 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 61.5 tp -59.46 -36.68 76.43 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 124.763 1.225 . . . . 73.349999999999994 110.764 176.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -65.98 -50.92 62.61 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.832 1.653 . . . . 72.219999999999999 110.264 177.588 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -64.35 -40.33 95.66 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.311 0.644 . . . . 61.149999999999999 110.836 -178.378 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.51 -32.87 73.14 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.29 0.636 . . . . 72.310000000000002 110.953 179.362 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.407 ' O ' ' HG2' ' A' ' 72' ' ' LYS . . . -71.14 -42.73 68.78 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.591 0.757 . . . . 64.219999999999999 111.469 177.623 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -66.57 -39.07 88.29 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.863 0.865 . . . . 72.409999999999997 110.237 177.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.0 t -70.05 -32.58 70.76 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 114.749 -1.114 . . . . 61.399999999999999 110.3 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.1 mt -61.47 -43.72 98.36 Favored 'General case' 0 C--N 1.361 1.073 0 C-N-CA 123.717 0.807 . . . . 74.540000000000006 110.413 172.431 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.407 ' HG2' ' O ' ' A' ' 68' ' ' ALA . 44.3 mmtm -59.35 -44.89 92.61 Favored 'General case' 0 N--CA 1.481 1.121 0 O-C-N 123.393 0.433 . . . . 65.340000000000003 110.559 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -67.35 -46.92 71.97 Favored 'General case' 0 N--CA 1.48 1.042 0 O-C-N 123.945 0.778 . . . . 75.409999999999997 110.808 -179.543 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.401 ' O ' HG13 ' A' ' 78' ' ' ILE . . . -60.11 -47.15 87.1 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.844 0.858 . . . . 73.430000000000007 111.177 -175.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.492 HD12 ' HB2' ' A' ' 91' ' ' ALA . 36.4 mt -74.44 -33.21 32.59 Favored 'Isoleucine or valine' 0 C--O 1.245 0.862 0 N-CA-C 112.203 0.446 . . . . 53.119999999999997 112.203 -173.554 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 68.2 p -76.81 -15.58 59.69 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 116.596 -0.275 . . . . 73.319999999999993 110.782 174.162 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -89.65 -18.3 26.74 Favored 'General case' 0 C--N 1.354 0.795 0 C-N-CA 123.435 0.694 . . . . 60.140000000000001 111.524 175.538 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.493 HD13 ' HG2' ' A' ' 42' ' ' ARG . 58.9 mt -62.24 114.36 11.49 Favored Pre-proline 0 N--CA 1.487 1.424 0 N-CA-C 108.283 -1.006 . . . . 62.530000000000001 108.283 174.629 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.42 -83.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.383 2.379 0 C-N-CA 123.132 2.554 . . . . 70.540000000000006 112.637 -177.267 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 176.41 87.01 0.01 OUTLIER 'General case' 0 C--N 1.361 1.08 0 C-N-CA 123.497 0.719 . . . . 64.140000000000001 109.563 -178.5 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 177.58 -52.63 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 123.443 0.697 . . . . 65.239999999999995 111.044 175.301 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -69.8 -28.93 66.14 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 115.38 -0.827 . . . . 73.409999999999997 111.733 -165.415 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 129.38 70.35 0.12 Allowed Glycine 0 C--N 1.342 0.893 0 N-CA-C 111.673 -0.571 . . . . 62.539999999999999 111.673 175.161 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 15.1 ptt180 -76.28 -22.76 54.67 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-O 119.272 -0.394 . . . . 63.420000000000002 111.354 176.241 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -74.43 -50.3 19.0 Favored 'General case' 0 C--N 1.353 0.735 0 N-CA-C 108.84 -0.8 . . . . 72.409999999999997 108.84 -178.315 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -63.71 -35.89 82.05 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 115.538 -0.755 . . . . 72.310000000000002 110.158 178.116 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.7 -33.16 64.28 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 115.902 -0.59 . . . . 65.430000000000007 110.88 178.53 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.455 ' HA ' HD13 ' A' ' 75' ' ' ILE . 4.5 tppp? -60.34 -37.88 82.01 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.749 0.82 . . . . 74.040000000000006 110.566 -179.122 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -55.12 -31.96 61.68 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.236 1.014 . . . . 74.430000000000007 111.977 178.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 45.0 mtm -73.92 -32.58 63.6 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.511 1.124 . . . . 73.439999999999998 111.511 -178.331 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.492 ' HB2' HD12 ' A' ' 75' ' ' ILE . . . -59.8 -40.4 88.2 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 122.929 0.492 . . . . 51.229999999999997 110.236 173.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.456 ' O ' ' HG2' ' A' ' 96' ' ' GLU . 0.8 OUTLIER -64.5 -41.94 96.14 Favored 'General case' 0 C--N 1.364 1.202 0 O-C-N 124.101 0.875 . . . . 51.420000000000002 110.16 177.947 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 26.3 mmtp -59.51 -44.3 93.16 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 124.053 0.941 . . . . 71.430000000000007 111.937 178.192 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.45 -35.75 76.58 Favored 'General case' 0 N--CA 1.468 0.429 0 O-C-N 124.442 1.089 . . . . 70.549999999999997 111.103 177.409 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' A' ' 91' ' ' ALA . 19.7 mm-40 -75.54 -32.61 60.52 Favored 'General case' 0 C--O 1.219 -0.545 0 O-C-N 124.145 0.903 . . . . 73.129999999999995 111.154 176.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.456 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 58.4 mm-40 -63.04 -49.84 72.99 Favored 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 109.472 -0.566 . . . . 72.420000000000002 109.472 178.072 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' TRP . . . . . 0.452 ' O ' ' HG2' ' A' ' 101' ' ' GLU . 24.0 m0 -64.6 -45.65 86.04 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.202 -0.908 . . . . 74.25 110.53 -179.587 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 49.9 tp -62.42 -48.4 79.87 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 123.967 0.792 . . . . 71.420000000000002 111.826 -177.622 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -66.63 -27.23 67.52 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.399 0.679 . . . . 74.5 111.2 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.43 -36.83 65.99 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.236 0.614 . . . . 71.120000000000005 110.739 175.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' A' ' 97' ' ' TRP . 49.4 mm-40 -71.77 -37.16 70.52 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.147 0.579 . . . . 44.420000000000002 111.164 177.217 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -79.71 129.04 34.14 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.535 0.734 . . . . 75.409999999999997 110.286 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 49.0 m-80 -77.86 -24.04 48.66 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.769 0.828 . . . . 74.519999999999996 110.797 178.446 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 . . . . . 0 C--O 1.25 1.117 0 N-CA-C 107.811 -1.181 . . . . 63.43 107.811 177.472 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.142 0 N-CA-C 109.835 -0.432 . . . . 75.010000000000005 109.835 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 58.33 24.75 11.96 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 124.383 1.073 . . . . 64.400000000000006 113.843 171.223 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -67.97 -37.99 82.2 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.455 0.702 . . . . 70.530000000000001 110.379 178.616 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -58.01 -45.22 87.24 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.485 1.114 . . . . 72.209999999999994 110.902 175.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.511 HG23 HG23 ' A' ' 31' ' ' ILE . 77.7 mt -70.46 -41.17 78.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 123.513 0.725 . . . . 63.32 110.779 177.502 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.58 -27.28 68.84 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.568 0.747 . . . . 64.409999999999997 111.545 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -70.52 -40.48 73.48 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 115.529 -0.759 . . . . 62.240000000000002 110.145 172.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 20.9 m-30 -69.89 -29.97 67.29 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.511 0.724 . . . . 73.120000000000005 111.505 177.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -59.81 -46.58 88.77 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.698 0.799 . . . . 75.200000000000003 109.435 172.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.1 tptm -87.0 -6.93 58.59 Favored 'General case' 0 CA--C 1.555 1.137 0 CA-C-N 115.106 -0.952 . . . . 44.020000000000003 111.317 -179.26 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.77 -28.14 58.32 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-O 121.105 0.479 . . . . 70.209999999999994 110.086 171.691 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.566 ' HD1' ' H ' ' A' ' 14' ' ' LYS . 1.5 t80 -90.26 148.6 22.8 Favored 'General case' 0 CA--C 1.55 0.98 0 N-CA-C 108.62 -0.882 . . . . 74.030000000000001 108.62 176.787 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 47.0 tptt -144.06 34.3 1.23 Allowed 'General case' 0 N--CA 1.484 1.252 0 CA-C-O 121.723 0.773 . . . . 75.099999999999994 109.663 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.566 ' H ' ' HD1' ' A' ' 12' ' ' TYR . 98.9 mttt 59.73 126.1 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.529 1.532 . . . . 73.329999999999998 112.923 -174.131 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.59 -2.07 24.32 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 115.124 -0.944 . . . . 71.5 111.517 172.41 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -69.48 -34.19 73.99 Favored 'General case' 0 C--N 1.352 0.674 0 C-N-CA 124.9 1.28 . . . . 75.450000000000003 110.048 171.668 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.62 104.55 7.18 Favored 'General case' 0 C--O 1.24 0.595 0 CA-C-N 115.608 -0.724 . . . . 74.129999999999995 110.213 178.066 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.0 mt 67.29 164.66 0.21 Allowed 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 124.983 1.313 . . . . 74.219999999999999 111.45 -176.559 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -77.35 76.87 3.89 Favored 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 108.259 -1.015 . . . . 61.119999999999997 108.259 172.494 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.452 HE21 HD12 ' A' ' 23' ' ' LEU . 62.8 mt-30 -129.81 31.87 4.66 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 114.701 -1.136 . . . . 44.409999999999997 109.291 -176.235 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.77 -21.03 68.95 Favored Glycine 0 C--N 1.354 1.534 0 CA-C-N 115.768 -0.651 . . . . 71.140000000000001 112.904 176.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -67.2 -39.83 86.38 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 123.809 0.844 . . . . 63.009999999999998 110.791 170.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.452 HD12 HE21 ' A' ' 20' ' ' GLN . 59.2 mt -81.83 -2.66 51.73 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.349 0.659 . . . . 64.340000000000003 111.625 -174.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.423 ' HB3' ' CZ ' ' A' ' 12' ' ' TYR . 16.5 mtm -141.45 -171.68 3.36 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.444 0.698 . . . . 72.400000000000006 111.598 -176.003 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.99 -50.52 3.12 Favored Glycine 0 C--N 1.348 1.229 0 C-N-CA 123.694 0.664 . . . . 61.450000000000003 111.732 -171.089 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 65.7 mtp180 -58.83 -43.16 90.62 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.842 1.257 . . . . 72.540000000000006 112.294 -176.199 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.518 ' HB3' ' HD2' ' A' ' 12' ' ' TYR . . . -61.84 -46.1 90.93 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 123.459 0.474 . . . . 55.009999999999998 111.364 -178.598 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.571 HD23 HD12 ' A' ' 31' ' ' ILE . 21.7 mt -63.67 -34.61 78.25 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.031 0.532 . . . . 70.5 111.825 177.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -62.12 -42.51 99.31 Favored 'General case' 0 CA--C 1.546 0.797 0 O-C-N 123.328 0.392 . . . . 74.310000000000002 110.28 174.54 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.527 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 50.3 m-80 -67.15 -40.44 86.68 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-O 118.797 -0.62 . . . . 73.120000000000005 111.549 177.506 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.571 HD12 HD23 ' A' ' 28' ' ' LEU . 64.7 mt -63.14 -37.12 78.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 N-CA-C 109.591 -0.522 . . . . 74.209999999999994 109.591 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.52 -48.03 87.97 Favored Glycine 0 C--N 1.347 1.141 0 CA-C-N 114.79 -1.096 . . . . 74.230000000000004 112.218 173.427 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.54 ' O ' ' HG2' ' A' ' 37' ' ' LYS . 97.1 mt -58.53 -43.4 89.2 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 123.157 0.583 . . . . 74.129999999999995 110.506 177.084 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.527 ' HG2' ' O ' ' A' ' 30' ' ' ASN . 7.8 mm-40 -64.37 -37.93 89.26 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 124.209 1.004 . . . . 72.420000000000002 111.988 -176.691 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.462 ' HA ' ' HE2' ' A' ' 38' ' ' MET . 33.7 mmtp -68.36 -42.27 79.42 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 116.026 -0.533 . . . . 72.400000000000006 110.005 173.74 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -64.7 -28.55 69.67 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.886 0.874 . . . . 55.329999999999998 110.69 -179.457 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.54 ' HG2' ' O ' ' A' ' 33' ' ' LEU . 74.5 mmtt -62.74 -41.49 99.21 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.48 0.712 . . . . 73.409999999999997 110.598 175.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.462 ' HE2' ' HA ' ' A' ' 35' ' ' LYS . 36.4 mtm -87.11 -2.27 58.5 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 115.154 -0.93 . . . . 64.450000000000003 111.225 -177.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 96.55 -6.78 65.49 Favored Glycine 0 C--N 1.348 1.207 0 CA-C-O 119.448 -0.64 . . . . 34.130000000000003 113.68 177.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -75.57 77.73 2.58 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-O 121.886 0.85 . . . . 73.329999999999998 110.432 177.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.432 ' O ' ' HB1' ' A' ' 74' ' ' ALA . . . -86.35 -23.86 26.05 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 114.568 -1.196 . . . . 61.229999999999997 112.584 -170.206 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -73.94 -39.96 63.42 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 109.563 -0.532 . . . . 60.539999999999999 109.563 176.613 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -66.17 -42.37 89.03 Favored 'General case' 0 C--N 1.353 0.739 0 O-C-N 123.898 0.749 . . . . 64.209999999999994 109.618 171.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.63 -54.3 39.55 Favored 'General case' 0 C--N 1.349 0.577 0 O-C-N 124.085 0.866 . . . . 61.100000000000001 110.904 179.007 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.46 ' HB1' HD23 ' A' ' 71' ' ' LEU . . . -57.69 -36.55 72.11 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 124.378 1.049 . . . . 61.109999999999999 111.587 179.083 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -66.97 -39.45 87.22 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.971 0.909 . . . . 74.120000000000005 110.572 -178.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.44 ' HE2' ' HG3' ' A' ' 35' ' ' LYS . 63.1 m-85 -71.93 -36.13 69.83 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.243 0.617 . . . . 71.219999999999999 111.663 175.23 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -66.83 -29.77 69.78 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.129 0.571 . . . . 54.32 110.849 178.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -70.13 -47.72 60.51 Favored 'General case' 0 C--N 1.343 0.31 0 O-C-N 124.11 0.882 . . . . 74.420000000000002 110.54 177.326 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.445 ' CB ' HD13 ' A' ' 28' ' ' LEU . 72.6 mtt180 -56.24 -46.86 79.42 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 124.161 0.913 . . . . 74.219999999999999 109.949 176.418 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.07 -44.93 95.61 Favored 'General case' 0 C--N 1.348 0.519 0 CA-C-N 114.366 -1.288 . . . . 73.120000000000005 110.549 179.52 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.28 -31.87 73.24 Favored 'General case' 0 N--CA 1.485 1.304 0 O-C-N 123.957 0.786 . . . . 73.010000000000005 111.913 -176.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 94.6 mt -61.68 -50.44 80.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 123.554 0.742 . . . . 73.099999999999994 109.698 173.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 51.7 t -67.88 -41.88 85.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 O-C-N 123.853 0.72 . . . . 73.010000000000005 110.987 -175.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -63.33 -47.68 81.18 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.469 0.708 . . . . 64.450000000000003 111.379 179.286 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.402 ' CD1' ' HB3' ' A' ' 97' ' ' TRP . 64.8 t80 -64.42 -45.5 87.29 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 123.43 0.456 . . . . 74.230000000000004 111.518 178.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 45.5 tptt -55.63 -39.47 70.87 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.55 1.14 . . . . 73.430000000000007 111.009 178.008 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -88.45 -9.71 51.6 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-N 115.407 -0.815 . . . . 73.430000000000007 111.165 177.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 64.4 m-70 65.44 31.91 9.95 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 125.162 1.385 . . . . 54.310000000000002 112.068 177.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -79.98 102.57 9.32 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 108.75 -0.833 . . . . 64.340000000000003 108.75 169.577 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 18.8 p -69.84 -25.46 63.76 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.555 0.742 . . . . 63.509999999999998 112.466 -178.129 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -64.79 -59.1 4.6 Favored 'General case' 0 N--CA 1.477 0.878 0 O-C-N 123.8 0.688 . . . . 65.0 109.738 -179.173 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -71.23 -31.49 66.21 Favored Glycine 0 C--N 1.342 0.861 0 CA-C-N 114.726 -1.125 . . . . 63.109999999999999 113.459 -176.07 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 65.7 tp -67.9 -42.2 81.54 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 122.927 0.491 . . . . 74.239999999999995 110.684 176.32 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -61.11 -44.66 97.01 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 124.028 0.931 . . . . 70.519999999999996 110.568 177.028 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 58.9 mtp180 -66.33 -49.77 65.83 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 114.803 -1.089 . . . . 65.400000000000006 110.632 179.111 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.474 ' O ' ' HB2' ' A' ' 71' ' ' LEU . . . -66.92 -31.22 71.67 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.227 0.611 . . . . 74.310000000000002 111.953 -175.419 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.469 ' HA ' ' HB1' ' A' ' 94' ' ' ALA . . . -63.91 -46.34 85.27 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.393 0.677 . . . . 62.299999999999997 111.05 176.578 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -72.95 -38.43 66.78 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 114.879 -1.055 . . . . 53.020000000000003 111.406 179.235 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 50.2 m -68.61 -33.29 73.79 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 123.767 0.667 . . . . 51.420000000000002 110.414 -179.021 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.474 ' HB2' ' O ' ' A' ' 67' ' ' ALA . 0.9 OUTLIER -62.81 -53.16 58.59 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.717 0.807 . . . . 74.340000000000003 109.52 179.395 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.22 -37.69 72.02 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-N 115.353 -0.84 . . . . 54.310000000000002 112.409 -173.171 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -68.67 -29.2 67.62 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 122.675 0.39 . . . . 64.019999999999996 110.412 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.432 ' HB1' ' O ' ' A' ' 41' ' ' ALA . . . -71.26 -34.71 70.96 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 115.561 -0.745 . . . . 54.210000000000001 110.745 175.672 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.816 HD13 ' HA ' ' A' ' 88' ' ' LYS . 59.9 mt -71.63 -38.93 68.8 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.254 0 C-N-CA 123.365 0.666 . . . . 63.549999999999997 111.76 179.618 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 39.4 p -71.01 -12.9 61.79 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 116.419 -0.355 . . . . 75.209999999999994 111.02 173.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -94.82 -15.67 23.57 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 123.852 0.861 . . . . 71.530000000000001 111.867 177.03 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 56.0 mt -65.57 130.87 94.7 Favored Pre-proline 0 N--CA 1.49 1.55 0 N-CA-C 108.953 -0.758 . . . . 63.200000000000003 108.953 175.501 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -66.5 -179.01 1.36 Allowed 'Trans proline' 0 C--N 1.376 1.993 0 C-N-CA 122.735 2.29 . . . . 61.310000000000002 112.278 178.306 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -62.43 165.39 6.17 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 122.811 0.444 . . . . 64.439999999999998 112.149 -175.449 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.4 tm-20 74.36 -70.05 0.17 Allowed 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 125.188 1.395 . . . . 63.420000000000002 109.337 -178.026 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -73.84 157.59 36.09 Favored 'General case' 0 CA--C 1.55 0.958 0 CA-C-O 121.179 0.514 . . . . 64.430000000000007 110.792 179.289 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 81.59 -168.68 50.01 Favored Glycine 0 C--N 1.348 1.244 0 N-CA-C 110.661 -0.976 . . . . 40.350000000000001 110.661 -170.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? 73.48 -51.46 0.7 Allowed 'General case' 0 N--CA 1.499 1.984 0 C-N-CA 124.764 1.226 . . . . 74.310000000000002 109.695 178.701 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -99.24 -161.16 0.85 Allowed 'General case' 0 CA--C 1.558 1.263 0 N-CA-C 108.466 -0.938 . . . . 73.409999999999997 108.466 155.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 60.18 -94.41 0.05 OUTLIER 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 123.999 0.92 . . . . 72.439999999999998 111.425 172.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -75.8 -29.05 58.59 Favored 'General case' 0 C--N 1.35 0.59 0 C-N-CA 123.305 0.642 . . . . 51.409999999999997 111.375 -173.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.816 ' HA ' HD13 ' A' ' 75' ' ' ILE . 13.8 tmtt? -65.29 -33.63 76.44 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.882 0.873 . . . . 60.100000000000001 111.342 -173.669 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -59.37 -31.79 69.53 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.838 0.855 . . . . 75.519999999999996 111.868 -178.509 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 40.7 mtm -72.84 -31.26 64.64 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.93 1.292 . . . . 71.319999999999993 111.824 -176.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.46 ' O ' ' HG2' ' A' ' 95' ' ' GLU . . . -53.92 -47.17 71.47 Favored 'General case' 0 N--CA 1.481 1.097 0 O-C-N 123.871 0.732 . . . . 73.439999999999998 110.802 177.06 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.437 ' O ' ' HG2' ' A' ' 96' ' ' GLU . 62.1 tttp -57.98 -42.72 85.69 Favored 'General case' 0 C--N 1.361 1.076 0 O-C-N 124.443 1.089 . . . . 72.310000000000002 111.027 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -58.96 -46.71 87.39 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 124.064 0.853 . . . . 75.310000000000002 110.988 -177.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.469 ' HB1' ' HA ' ' A' ' 68' ' ' ALA . . . -63.42 -35.39 80.25 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.7 0.8 . . . . 63.329999999999998 111.619 -179.484 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.466 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 10.8 mm-40 -66.21 -47.73 72.9 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.487 0.715 . . . . 64.239999999999995 111.002 175.006 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 68.0 mm-40 -56.23 -45.65 79.87 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.598 0.759 . . . . 70.439999999999998 110.986 -179.398 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' TRP . . . . . 0.402 ' HB3' ' CD1' ' A' ' 56' ' ' TYR . 44.5 m0 -68.62 -38.78 80.83 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 114.888 -1.051 . . . . 74.25 110.98 -178.114 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 30.2 tp -68.41 -34.08 75.36 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 115.783 -0.644 . . . . 71.340000000000003 111.271 -179.009 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.466 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 82.6 mm-40 -72.66 -32.04 65.53 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 122.738 0.415 . . . . 72.319999999999993 110.37 178.13 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.35 -30.91 71.96 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.429 0.692 . . . . 73.319999999999993 111.169 177.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -85.85 -52.58 5.65 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.747 0.819 . . . . 72.109999999999999 111.193 177.135 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -86.65 85.08 7.28 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.877 0.871 . . . . 74.129999999999995 110.164 -176.248 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -90.23 117.62 29.12 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.793 0.837 . . . . 73.530000000000001 110.096 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 19.9 m120 . . . . . 0 CA--C 1.55 0.951 0 C-N-CA 124.24 1.016 . . . . 62.240000000000002 108.458 179.541 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 121.034 0.445 . . . . 71.150000000000006 110.695 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -137.51 33.41 2.5 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.117 0.967 . . . . 72.439999999999998 110.341 -168.629 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -63.83 -56.42 15.53 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.223 1.009 . . . . 75.120000000000005 109.277 178.353 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -73.61 -30.79 63.2 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.337 0.655 . . . . 75.099999999999994 110.813 -178.278 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 64.4 mt -64.93 -34.63 71.78 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 C-N-CA 123.585 0.754 . . . . 71.530000000000001 110.503 178.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.53 -32.23 62.75 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 124.188 0.995 . . . . 51.030000000000001 111.867 178.131 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -64.99 -52.27 57.09 Favored 'General case' 0 C--N 1.354 0.762 0 O-C-N 123.943 0.777 . . . . 72.349999999999994 109.712 175.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -68.81 -33.52 73.98 Favored 'General case' 0 N--CA 1.479 0.993 0 O-C-N 124.391 1.057 . . . . 74.230000000000004 111.821 -172.343 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -61.48 -48.42 81.21 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.336 0.654 . . . . 43.530000000000001 110.834 179.022 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 36.2 mtmm -87.5 -14.94 38.98 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 122.943 0.497 . . . . 75.129999999999995 111.79 -179.65 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.06 -32.72 72.4 Favored 'General case' 0 N--CA 1.483 1.225 0 N-CA-C 109.417 -0.586 . . . . 71.040000000000006 109.417 171.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.632 ' HA ' ' HG2' ' A' ' 24' ' ' MET . 2.0 t80 -76.95 94.75 4.0 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 107.668 -1.234 . . . . 75.230000000000004 107.668 170.326 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -72.58 -85.77 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 123.006 0.523 . . . . 75.310000000000002 110.86 -175.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.647 ' HD3' ' HB3' ' A' ' 17' ' ' GLU . 4.8 ttmp? -157.01 91.25 1.18 Allowed 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.034 0.534 . . . . 71.200000000000003 110.102 -175.701 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -98.49 -0.58 43.1 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.724 0.81 . . . . 75.450000000000003 110.54 174.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -88.88 -49.06 7.03 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.868 0.867 . . . . 74.340000000000003 111.4 -175.708 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.647 ' HB3' ' HD3' ' A' ' 14' ' ' LYS . 39.0 tt0 -100.96 -32.62 10.55 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.316 0.646 . . . . 60.020000000000003 110.423 -177.335 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.472 ' HB3' ' HG3' ' A' ' 20' ' ' GLN . 95.7 mt -104.45 134.6 47.37 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 108.952 -0.758 . . . . 75.040000000000006 108.952 174.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 56.2 m-20 -87.23 59.43 5.56 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 109.002 -0.74 . . . . 74.209999999999994 109.002 176.113 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.492 ' HB3' HD12 ' A' ' 23' ' ' LEU . 96.4 mt-30 -100.49 34.87 2.27 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.03 0.932 . . . . 74.409999999999997 109.698 178.109 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.12 170.11 7.17 Favored Glycine 0 C--N 1.352 1.46 0 CA-C-O 119.548 -0.584 . . . . 73.510000000000005 113.005 -178.564 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 78.61 -41.64 0.3 Allowed 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 125.233 1.413 . . . . 62.009999999999998 110.464 -170.688 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.492 HD12 ' HB3' ' A' ' 20' ' ' GLN . 96.2 mt -60.39 -30.85 69.85 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 123.373 0.669 . . . . 65.430000000000007 110.195 166.455 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.632 ' HG2' ' HA ' ' A' ' 12' ' ' TYR . 28.9 mtm -126.73 178.75 5.73 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.385 1.074 . . . . 74.549999999999997 110.869 -176.639 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.97 -47.71 1.28 Allowed Glycine 0 C--N 1.346 1.096 0 N-CA-C 110.314 -1.115 . . . . 75.299999999999997 110.314 -171.538 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.2 ttt180 -54.85 -47.04 74.68 Favored 'General case' 0 C--N 1.354 0.761 0 C-N-CA 124.336 1.054 . . . . 73.239999999999995 110.775 174.575 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.406 ' O ' HG13 ' A' ' 31' ' ' ILE . . . -57.38 -39.81 76.83 Favored 'General case' 0 C--N 1.35 0.593 0 O-C-N 124.058 0.849 . . . . 74.310000000000002 112.601 -175.097 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.499 ' HG ' ' CE2' ' A' ' 12' ' ' TYR . 59.2 mt -65.44 -45.66 82.98 Favored 'General case' 0 N--CA 1.484 1.264 0 O-C-N 123.179 0.299 . . . . 72.230000000000004 110.529 176.621 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -57.36 -40.08 77.32 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.063 0.945 . . . . 61.310000000000002 111.078 177.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -73.48 -36.31 65.79 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.268 1.027 . . . . 70.409999999999997 111.331 -175.746 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.406 HG13 ' O ' ' A' ' 27' ' ' ALA . 90.3 mt -63.76 -44.28 98.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 N-CA-C 109.052 -0.721 . . . . 61.32 109.052 171.401 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.04 -36.43 93.45 Favored Glycine 0 C--N 1.352 1.441 0 O-C-N 124.431 1.082 . . . . 34.229999999999997 113.246 -177.502 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 85.5 mt -59.34 -40.51 86.58 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.072 0.549 . . . . 54.439999999999998 110.015 175.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.43 ' HA ' ' HB3' ' A' ' 37' ' ' LYS . 43.6 mm-40 -76.37 -29.16 57.05 Favored 'General case' 0 C--N 1.348 0.51 0 O-C-N 123.979 0.799 . . . . 63.149999999999999 111.947 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -66.55 -49.43 66.46 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 109.605 -0.517 . . . . 71.150000000000006 109.605 175.235 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -64.1 -32.52 74.11 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 123.878 0.871 . . . . 70.340000000000003 110.448 179.071 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.43 ' HB3' ' HA ' ' A' ' 34' ' ' GLU . 1.6 tmtp? -66.19 -38.65 88.53 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 124.83 1.252 . . . . 74.019999999999996 110.838 173.721 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 69.7 mtm -86.54 1.33 52.0 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 123.406 0.682 . . . . 74.409999999999997 111.656 178.673 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.96 0.38 89.67 Favored Glycine 0 C--N 1.347 1.194 0 N-CA-C 113.758 0.263 . . . . 74.129999999999995 113.758 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -82.49 55.34 2.9 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.923 1.289 . . . . 73.319999999999993 109.599 176.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.92 -27.52 65.83 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.535 1.134 . . . . 54.340000000000003 111.885 -171.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.67 -51.46 63.1 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 124.574 1.15 . . . . 65.209999999999994 110.798 172.791 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -79.99 -29.26 39.48 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 116.335 -0.393 . . . . 74.120000000000005 111.571 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.18 -53.63 55.95 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 124.094 0.871 . . . . 52.32 110.916 178.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.41 -35.14 73.43 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 124.742 1.276 . . . . 72.200000000000003 111.27 -179.557 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -68.16 -41.02 82.18 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 124.079 0.951 . . . . 51.119999999999997 109.817 -179.705 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.454 ' HD1' HD22 ' A' ' 28' ' ' LEU . 40.0 m-85 -66.83 -36.71 82.98 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.407 0.683 . . . . 73.109999999999999 111.16 175.676 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.456 ' HB2' ' HG ' ' A' ' 71' ' ' LEU . 23.5 m-85 -68.88 -32.41 72.05 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.22 0.608 . . . . 72.299999999999997 110.515 178.287 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -68.81 -51.4 41.24 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 123.741 0.651 . . . . 74.420000000000002 110.646 178.628 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 35.0 mtp180 -66.79 -33.07 74.81 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 123.978 0.799 . . . . 75.349999999999994 111.417 -179.361 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.21 -48.27 80.77 Favored 'General case' 0 C--N 1.35 0.597 0 O-C-N 123.711 0.632 . . . . 72.109999999999999 109.322 172.7 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.16 -34.63 73.83 Favored 'General case' 0 C--N 1.357 0.921 0 O-C-N 124.41 1.068 . . . . 53.030000000000001 111.515 -179.612 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 83.8 mt -57.5 -52.77 52.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 O-C-N 124.0 0.813 . . . . 63.329999999999998 110.111 174.318 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.445 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 41.0 t -64.09 -44.44 97.68 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 123.095 0.558 . . . . 62.030000000000001 110.764 -176.593 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -65.22 -29.97 70.81 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.172 0.589 . . . . 72.299999999999997 111.622 178.685 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 44.6 t80 -72.16 -42.58 65.76 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.208 0.603 . . . . 74.409999999999997 110.279 176.184 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -56.8 -37.06 70.63 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.974 0.91 . . . . 74.230000000000004 111.393 171.422 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' A' ' 54' ' ' VAL . 24.4 mm-40 -85.75 -11.78 52.72 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 115.969 -0.56 . . . . 71.010000000000005 111.652 179.068 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 60.19 28.18 17.74 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.926 1.29 . . . . 71.409999999999997 111.421 -177.289 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -81.88 94.35 7.07 Favored 'General case' 0 C--O 1.242 0.7 0 C-N-CA 125.75 1.62 . . . . 74.200000000000003 108.593 176.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 24.3 p -64.25 -25.76 68.2 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.838 0.855 . . . . 51.140000000000001 112.379 -177.041 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -59.76 -59.19 5.84 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 122.808 0.443 . . . . 75.129999999999995 110.896 176.234 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -75.3 -37.17 42.75 Favored Glycine 0 C--N 1.335 0.478 0 CA-C-N 115.066 -0.97 . . . . 74.430000000000007 113.408 -172.347 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 53.4 tp -61.72 -49.18 77.48 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.288 0.635 . . . . 75.010000000000005 110.329 178.396 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.416 ' O ' ' HG3' ' A' ' 69' ' ' LYS . 37.4 ttt180 -63.33 -46.36 86.97 Favored 'General case' 0 C--N 1.353 0.725 0 O-C-N 124.239 0.962 . . . . 54.420000000000002 110.12 179.635 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -65.53 -34.33 78.01 Favored 'General case' 0 CA--C 1.543 0.697 0 O-C-N 124.168 0.918 . . . . 74.310000000000002 111.005 -176.616 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.486 ' O ' ' HB2' ' A' ' 71' ' ' LEU . . . -71.76 -36.53 70.42 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.237 0.615 . . . . 72.340000000000003 110.283 178.204 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.08 -41.76 85.8 Favored 'General case' 0 N--CA 1.483 1.194 0 O-C-N 124.124 0.89 . . . . 75.239999999999995 110.995 175.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' A' ' 65' ' ' ARG . 29.5 mtpp -60.63 -48.25 82.6 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.326 1.05 . . . . 75.219999999999999 110.811 176.358 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.7 t -71.52 -30.01 65.44 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.493 0.717 . . . . 42.329999999999998 110.368 -177.254 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.486 ' HB2' ' O ' ' A' ' 67' ' ' ALA . 0.5 OUTLIER -62.26 -54.49 40.05 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 124.345 1.058 . . . . 71.209999999999994 110.069 -177.884 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.525 ' HA ' HD12 ' A' ' 75' ' ' ILE . 21.8 pttp -64.02 -30.82 71.86 Favored 'General case' 0 N--CA 1.481 1.096 0 O-C-N 123.866 0.729 . . . . 73.019999999999996 111.569 -176.458 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -72.81 -36.24 67.51 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.753 0.821 . . . . 75.25 110.391 178.17 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.456 ' O ' HG13 ' A' ' 78' ' ' ILE . . . -67.23 -37.57 83.8 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.872 -0.604 . . . . 73.340000000000003 110.2 174.288 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.873 HD13 ' HA ' ' A' ' 88' ' ' LYS . 65.4 mt -66.31 -41.21 88.6 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 C-N-CA 123.497 0.719 . . . . 71.150000000000006 111.665 -177.836 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 50.7 p -62.26 -25.3 67.76 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 123.52 0.513 . . . . 64.129999999999995 110.793 174.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.89 -19.9 22.83 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.898 0.879 . . . . 71.310000000000002 112.439 178.464 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.457 HG21 ' H ' ' A' ' 84' ' ' ARG . 66.7 mt -64.89 118.94 53.84 Favored Pre-proline 0 N--CA 1.49 1.568 0 CA-C-N 118.452 0.569 . . . . 71.230000000000004 110.055 -179.596 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -53.22 120.27 7.46 Favored 'Trans proline' 0 C--N 1.378 2.118 0 C-N-CA 123.04 2.493 . . . . 54.399999999999999 111.12 167.511 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -67.74 84.91 0.2 Allowed 'General case' 0 C--O 1.248 0.993 0 C-N-CA 124.036 0.934 . . . . 73.519999999999996 110.328 -176.294 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -176.55 -51.53 0.01 OUTLIER 'General case' 0 C--O 1.237 0.445 0 CA-C-N 114.482 -1.236 . . . . 62.409999999999997 108.643 -174.027 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -73.28 -51.87 16.03 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 114.945 -1.025 . . . . 74.329999999999998 111.248 -176.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -143.52 -89.43 0.11 Allowed Glycine 0 C--N 1.34 0.76 0 N-CA-C 111.113 -0.795 . . . . 61.509999999999998 111.113 -177.162 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.457 ' H ' HG21 ' A' ' 78' ' ' ILE . 12.8 tpt180 60.42 -78.42 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 125.334 1.454 . . . . 64.129999999999995 112.434 172.396 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -65.73 -56.9 9.58 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.438 1.095 . . . . 70.439999999999998 110.958 -177.568 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -60.94 -37.39 82.18 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.312 0.645 . . . . 73.200000000000003 110.491 177.577 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -75.16 -25.41 58.32 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 114.865 -1.061 . . . . 42.119999999999997 111.795 -176.187 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.873 ' HA ' HD13 ' A' ' 75' ' ' ILE . 57.0 tttp -65.08 -34.24 77.95 Favored 'General case' 0 C--N 1.351 0.674 0 C-N-CA 123.634 0.773 . . . . 73.219999999999999 111.134 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.494 ' HA ' ' HD3' ' A' ' 92' ' ' LYS . 78.4 mm-40 -59.24 -28.62 66.86 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.447 1.099 . . . . 75.349999999999994 112.103 178.161 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 54.3 mtm -68.98 -39.64 79.29 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.195 0.598 . . . . 74.329999999999998 111.511 -178.606 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.27 -39.6 95.05 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.019 0.527 . . . . 53.0 110.067 174.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.494 ' HD3' ' HA ' ' A' ' 89' ' ' GLU . 55.8 mtpt -64.83 -40.25 94.88 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 114.679 -1.146 . . . . 64.420000000000002 110.713 177.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 34.2 mmtm -62.62 -46.98 85.78 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.541 0.736 . . . . 73.349999999999994 110.667 178.106 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.83 -31.46 72.1 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 124.254 0.971 . . . . 75.239999999999995 111.635 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.407 ' O ' ' HG3' ' A' ' 99' ' ' GLN . 3.0 tm-20 -75.54 -33.72 60.71 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.136 0.974 . . . . 63.310000000000002 110.05 177.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -65.42 -42.64 92.29 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.433 0.693 . . . . 75.230000000000004 110.353 175.332 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 34.9 m0 -65.83 -37.35 85.99 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 115.663 -0.698 . . . . 73.209999999999994 110.428 177.027 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.486 ' O ' ' HG2' ' A' ' 102' ' ' GLN . 51.7 tp -58.65 -43.76 89.89 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 124.198 0.936 . . . . 72.140000000000001 110.659 177.714 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.407 ' HG3' ' O ' ' A' ' 95' ' ' GLU . 71.1 mt-30 -60.71 -46.03 91.95 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.693 0.797 . . . . 73.219999999999999 110.561 176.099 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.62 -28.58 69.47 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.039 0.936 . . . . 74.209999999999994 111.92 -179.108 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -84.69 -11.34 56.07 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.7 0.8 . . . . 72.200000000000003 112.802 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.486 ' HG2' ' O ' ' A' ' 98' ' ' LEU . 76.2 mm-40 -83.3 114.51 21.45 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 109.447 -0.575 . . . . 71.120000000000005 109.447 177.272 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 27.6 p30 -72.8 -29.3 63.15 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.618 0.767 . . . . 71.109999999999999 110.778 176.004 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 . . . . . 0 CA--C 1.557 1.224 0 C-N-CA 123.746 0.818 . . . . 72.430000000000007 110.602 175.756 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 23.1 mtm . . . . . 0 N--CA 1.473 0.724 0 N-CA-C 109.697 -0.483 . . . . 60.12 109.697 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.65 -60.04 4.78 Favored Glycine 0 C--N 1.345 1.057 0 N-CA-C 110.722 -0.951 . . . . 63.33 110.722 -168.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.2 ttt85 -62.41 -24.5 67.44 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.89 1.276 . . . . 74.34 111.664 178.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.43 -44.53 71.15 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-O 119.212 -0.423 . . . . 63.43 110.577 174.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.413 HD23 HD12 ' A' ' 31' ' ' ILE . 13.6 mt -64.75 -36.15 83.39 Favored 'General case' 0 N--CA 1.488 1.469 0 CA-C-N 117.707 0.23 . . . . 74.1 110.679 173.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.451 ' CZ ' ' HG2' ' A' ' 66' ' ' ARG . 85.7 t80 -60.59 -44.09 96.62 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 123.688 0.618 . . . . 71.35 109.951 176.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -69.95 -38.35 76.13 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.096 0.558 . . . . 71.11 110.503 -177.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.413 HD12 HD23 ' A' ' 28' ' ' LEU . 83.4 mt -61.57 -41.25 89.47 Favored 'Isoleucine or valine' 0 C--N 1.358 0.968 0 C-N-CA 123.448 0.699 . . . . 62.55 109.623 173.596 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.98 -44.23 97.4 Favored Glycine 0 C--N 1.351 1.384 0 CA-C-N 114.979 -1.009 . . . . 74.43 112.174 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.443 ' O ' ' HG3' ' A' ' 37' ' ' LYS . 89.9 mt -54.83 -49.78 70.22 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.162 0.585 . . . . 72.43 110.002 175.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -61.84 -39.68 92.68 Favored 'General case' 0 CA--C 1.546 0.818 0 O-C-N 124.116 0.885 . . . . 71.03 112.208 -178.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -60.64 -43.64 97.34 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 122.789 0.436 . . . . 51.41 110.223 179.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -69.55 -34.51 74.31 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.849 0.86 . . . . 74.33 110.603 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.443 ' HG3' ' O ' ' A' ' 33' ' ' LEU . 29.9 mtpp -66.1 -28.77 69.07 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 123.603 0.761 . . . . 74.51 111.204 177.054 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 68.5 mtm -92.05 1.83 56.95 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.421 0.688 . . . . 75.15 111.605 177.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 101.95 -27.33 20.88 Favored Glycine 0 C--N 1.35 1.318 0 N-CA-C 113.753 0.261 . . . . 63.55 113.753 174.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.2 mtmp? -83.78 76.11 10.03 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-O 121.423 0.63 . . . . 75.23 110.265 -176.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.76 -2.52 39.88 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.298 -0.865 . . . . 40.41 112.738 -175.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.439 ' O ' ' HG2' ' A' ' 46' ' ' GLU . 4.9 tpt180 -69.51 -55.5 10.04 Favored 'General case' 0 C--N 1.359 0.984 0 N-CA-C 109.937 -0.394 . . . . 74.21 109.937 175.522 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -62.73 -33.63 75.53 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 123.6 0.563 . . . . 75.43 110.184 177.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.56 -54.09 42.32 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 124.197 0.936 . . . . 62.02 111.225 173.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.61 -40.95 96.65 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.309 1.006 . . . . 75.31 111.412 -178.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' A' ' 42' ' ' ARG . 23.1 mm-40 -58.77 -46.56 87.24 Favored 'General case' 0 N--CA 1.479 1.012 0 O-C-N 123.907 0.755 . . . . 74.0 110.697 178.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -70.87 -32.5 69.51 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.622 -0.717 . . . . 71.22 112.054 -177.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -66.77 -33.19 75.08 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 123.623 0.577 . . . . 74.4 110.414 175.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -73.6 -50.69 19.87 Favored 'General case' 0 C--N 1.349 0.56 0 C-N-CA 123.23 0.612 . . . . 65.51 111.002 178.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.418 ' O ' HG23 ' A' ' 54' ' ' VAL . 58.7 mtp180 -64.57 -34.44 78.26 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.296 0.638 . . . . 74.53 110.287 -179.117 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.34 -46.4 83.64 Favored 'General case' 0 C--N 1.349 0.575 0 O-C-N 123.844 0.715 . . . . 55.01 109.805 172.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.4 -32.43 72.37 Favored 'General case' 0 C--N 1.355 0.837 0 O-C-N 124.039 0.837 . . . . 64.34 111.763 -178.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 85.7 mt -64.73 -44.73 96.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 123.241 0.616 . . . . 74.33 109.925 174.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 50' ' ' ARG . 70.6 t -63.33 -47.4 92.15 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.825 0 C-N-CA 123.351 0.66 . . . . 74.05 110.583 179.202 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -61.68 -40.69 95.86 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.506 0.722 . . . . 63.25 110.937 178.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -60.72 -50.53 73.09 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.963 0.905 . . . . 73.01 111.297 -179.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -61.78 -38.95 89.95 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.401 0.681 . . . . 75.42 112.015 176.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -84.49 -4.11 58.76 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 122.512 0.325 . . . . 70.31 111.707 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 59.48 29.28 18.82 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.785 1.234 . . . . 73.34 111.776 178.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -79.95 86.13 5.49 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.001 1.32 . . . . 61.11 107.838 176.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.87 -36.86 77.78 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.317 1.047 . . . . 74.22 112.884 -175.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -60.93 -57.44 12.64 Favored 'General case' 0 C--N 1.352 0.682 0 O-C-N 123.712 0.633 . . . . 72.41 110.074 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -65.75 -34.48 88.93 Favored Glycine 0 C--N 1.337 0.611 0 O-C-N 124.309 1.006 . . . . 70.2 113.233 -178.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 63.7 tp -67.23 -40.98 86.41 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.169 0.588 . . . . 72.2 110.368 178.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 44.8 ttm180 -68.54 -36.99 79.57 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.186 0.994 . . . . 74.24 110.207 177.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.451 ' HG2' ' CZ ' ' A' ' 29' ' ' TYR . 60.6 ttm-85 -73.8 -36.26 64.98 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 114.333 -1.303 . . . . 74.11 110.253 -177.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.483 ' O ' ' HB2' ' A' ' 71' ' ' LEU . . . -75.2 -41.11 58.53 Favored 'General case' 0 C--O 1.219 -0.541 0 CA-C-N 115.274 -0.875 . . . . 41.34 110.185 179.187 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.33 -45.82 92.84 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 124.466 1.104 . . . . 45.22 111.182 178.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.404 ' HB3' ' HE2' ' A' ' 69' ' ' LYS . 34.1 ttpt -61.6 -51.04 70.17 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 114.136 -1.393 . . . . 75.32 110.845 -179.082 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 50.4 m -70.14 -28.25 65.2 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.607 0.763 . . . . 73.23 111.644 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.483 ' HB2' ' O ' ' A' ' 67' ' ' ALA . 0.6 OUTLIER -60.44 -56.13 25.15 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.622 0.769 . . . . 72.23 109.943 -176.507 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.534 ' HA ' HD12 ' A' ' 75' ' ' ILE . 25.2 pttm -63.59 -31.3 72.43 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 124.06 0.85 . . . . 74.23 111.994 -173.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.533 ' HG3' ' HG3' ' A' ' 72' ' ' LYS . 41.6 mt-10 -87.26 -22.31 25.26 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.692 0.797 . . . . 71.02 111.554 -176.006 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.02 -31.31 61.34 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 110.014 -0.365 . . . . 73.34 110.014 170.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.844 HD13 ' HA ' ' A' ' 88' ' ' LYS . 70.2 mt -66.43 -42.08 89.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 124.185 0.994 . . . . 71.14 111.824 179.234 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 82.6 p -70.0 -16.38 63.17 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 116.187 -0.46 . . . . 74.35 110.631 177.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -99.64 -0.08 40.99 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 124.238 1.015 . . . . 64.54 112.192 179.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 59.3 mt . . . . . 0 N--CA 1.489 1.487 0 C-N-CA 122.987 0.515 . . . . 73.32 110.587 178.363 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 . . . . . 0 CA--C 1.548 0.896 0 N-CA-C 110.377 -0.231 . . . . 64.42 110.377 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -76.08 -39.38 55.48 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 122.922 0.489 . . . . 51.4 111.726 -171.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.844 ' HA ' HD13 ' A' ' 75' ' ' ILE . 14.9 tmtt? -70.63 -32.58 69.95 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.424 0.689 . . . . 71.22 111.457 -175.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -65.24 -27.44 68.66 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.809 0.843 . . . . 53.11 112.004 178.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 39.5 mtm -62.53 -34.95 77.94 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.387 0.675 . . . . 52.22 111.746 176.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.427 ' O ' ' HG2' ' A' ' 95' ' ' GLU . . . -62.44 -42.84 99.75 Favored 'General case' 0 C--N 1.348 0.508 0 O-C-N 123.59 0.556 . . . . 63.44 109.842 174.111 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.511 ' O ' ' HG2' ' A' ' 96' ' ' GLU . 7.7 mtpm? -63.58 -35.55 80.89 Favored 'General case' 0 C--N 1.353 0.759 0 O-C-N 124.356 1.035 . . . . 74.11 111.191 178.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -60.62 -49.96 75.42 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.26 0.624 . . . . 72.32 110.474 174.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.83 -29.53 70.49 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 114.82 -1.082 . . . . 74.21 111.628 -178.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 91' ' ' ALA . 75.6 mm-40 -60.95 -51.55 68.79 Favored 'General case' 0 C--N 1.357 0.911 0 C-N-CA 123.225 0.61 . . . . 73.01 110.224 171.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.511 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 23.6 mm-40 -63.46 -41.74 98.62 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 115.422 -0.808 . . . . 74.21 111.593 -174.008 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 48.1 m0 -63.81 -46.31 85.72 Favored 'General case' 0 C--N 1.345 0.409 0 O-C-N 124.086 0.866 . . . . 72.25 110.11 179.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 47.4 tp -63.48 -48.32 78.14 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 124.12 0.888 . . . . 74.12 111.763 -176.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -66.01 -36.37 83.09 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.001 0.52 . . . . 71.15 111.259 -177.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.38 -29.6 62.73 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 116.025 -0.534 . . . . 43.31 110.818 178.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 . . . . . 0 N--CA 1.482 1.164 0 C-N-CA 122.965 0.506 . . . . 62.53 110.72 173.29 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 4.1 mpp? . . . . . 0 CA--C 1.562 1.437 0 CA-C-O 118.955 -0.545 . . . . 60.24 109.725 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.76 -80.4 0.05 OUTLIER Glycine 0 C--N 1.368 2.342 0 C-N-CA 124.177 0.894 . . . . 40.14 114.338 -177.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 28.0 mmt180 -55.1 -31.12 60.98 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 125.399 1.48 . . . . 72.11 113.184 -175.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.7 -37.25 83.47 Favored 'General case' 0 CA--C 1.551 0.996 0 CA-C-O 119.025 -0.512 . . . . 73.21 112.021 -176.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.717 HD23 HD12 ' A' ' 31' ' ' ILE . 15.4 mt -70.35 -33.72 71.79 Favored 'General case' 0 N--CA 1.491 1.575 0 CA-C-N 118.123 0.42 . . . . 64.41 111.451 176.115 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -60.8 -42.31 97.37 Favored 'General case' 0 CA--C 1.548 0.866 0 O-C-N 123.799 0.687 . . . . 75.42 110.11 178.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -66.63 -35.65 80.68 Favored 'General case' 0 N--CA 1.483 1.214 0 O-C-N 123.655 0.597 . . . . 63.0 111.688 178.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.717 HD12 HD23 ' A' ' 28' ' ' LEU . 91.9 mt -64.58 -42.54 95.43 Favored 'Isoleucine or valine' 0 C--N 1.354 0.775 0 N-CA-C 109.223 -0.658 . . . . 60.41 109.223 177.438 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.94 -40.6 99.49 Favored Glycine 0 C--N 1.353 1.527 0 CA-C-N 115.35 -0.841 . . . . 64.41 112.924 178.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.2 mt -57.65 -46.72 83.84 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.305 0.642 . . . . 71.11 110.298 177.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -61.47 -42.16 98.35 Favored 'General case' 0 N--CA 1.476 0.854 0 O-C-N 124.114 0.884 . . . . 75.22 111.419 179.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.444 ' HG2' ' O ' ' A' ' 31' ' ' ILE . 75.6 mmtt -61.23 -45.48 94.36 Favored 'General case' 0 N--CA 1.478 0.948 0 O-C-N 123.749 0.655 . . . . 72.5 110.304 179.146 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -65.22 -34.9 79.46 Favored 'General case' 0 N--CA 1.482 1.134 0 O-C-N 123.913 0.758 . . . . 74.14 110.394 -177.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.19 -28.22 63.06 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.733 0.813 . . . . 71.51 112.124 177.05 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 78.4 mtm -85.22 -0.96 56.3 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.339 0.656 . . . . 73.42 111.468 176.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.76 1.33 89.3 Favored Glycine 0 C--N 1.355 1.595 0 O-C-N 122.966 0.167 . . . . 65.34 113.051 -176.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -84.74 61.85 7.02 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.697 1.199 . . . . 62.15 109.342 177.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.506 ' HB1' ' O ' ' A' ' 74' ' ' ALA . . . -67.74 -19.44 65.13 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 114.021 -1.445 . . . . 72.03 112.351 -173.14 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 25.4 tpt85 -66.03 -51.9 54.09 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.745 0.818 . . . . 50.12 110.343 176.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -71.3 -31.6 67.62 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 116.457 -0.338 . . . . 74.42 110.384 176.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.35 -55.25 37.27 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 123.275 0.359 . . . . 60.24 110.421 178.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.42 -44.11 84.36 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 124.675 1.234 . . . . 60.32 111.722 -175.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.466 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 12.0 pt-20 -71.68 -35.38 70.27 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 119.199 -0.429 . . . . 65.05 111.566 -177.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.446 ' CD1' HD22 ' A' ' 28' ' ' LEU . 19.1 m-85 -69.15 -31.89 70.86 Favored 'General case' 0 N--CA 1.484 1.226 0 CA-C-N 118.353 0.524 . . . . 74.43 111.621 178.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -66.76 -38.09 85.9 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 123.907 0.754 . . . . 71.32 110.007 170.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -68.95 -46.66 67.63 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.659 0.784 . . . . 64.1 111.994 -178.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.466 ' HG3' ' O ' ' A' ' 46' ' ' GLU . 61.9 mtt-85 -62.96 -42.68 99.89 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.239 1.015 . . . . 65.42 109.684 -178.088 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.23 -39.73 89.78 Favored 'General case' 0 C--N 1.351 0.664 0 CA-C-N 114.485 -1.234 . . . . 71.34 110.176 175.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.6 -32.14 73.09 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.642 0.777 . . . . 73.22 112.017 -177.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 84.3 mt -62.49 -39.54 84.81 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.267 0 C-N-CA 123.556 0.742 . . . . 62.41 110.336 174.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.476 ' HA ' ' HE3' ' A' ' 57' ' ' LYS . 40.4 t -72.76 -37.72 56.04 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.596 0 C-N-CA 123.938 0.895 . . . . 72.02 110.442 -179.039 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -72.07 -28.36 63.27 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 115.833 -0.621 . . . . 75.41 110.762 175.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -75.17 -48.52 23.21 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.385 0.674 . . . . 73.11 111.06 -179.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.476 ' HE3' ' HA ' ' A' ' 54' ' ' VAL . 18.1 ptpt -63.34 -35.28 79.87 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 116.098 -0.501 . . . . 63.3 111.514 -178.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -86.31 -10.08 55.17 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.045 0.538 . . . . 73.53 111.296 176.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 65.62 29.22 11.04 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 124.386 1.075 . . . . 74.11 112.471 177.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -80.06 94.5 5.96 Favored 'General case' 0 C--N 1.346 0.449 0 N-CA-C 108.565 -0.902 . . . . 73.11 108.565 172.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 20.5 p -63.37 -27.97 69.68 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 114.879 -1.055 . . . . 51.13 112.283 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -64.79 -57.69 8.23 Favored 'General case' 0 C--N 1.35 0.618 0 O-C-N 123.9 0.75 . . . . 74.3 110.08 -176.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -67.8 -36.74 87.66 Favored Glycine 0 C--N 1.342 0.863 0 O-C-N 124.454 1.096 . . . . 64.43 112.894 178.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 61.2 tp -62.43 -36.76 83.41 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 123.366 0.666 . . . . 72.31 110.594 178.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 37.4 ttt180 -72.48 -43.65 63.4 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.833 0.853 . . . . 62.54 110.039 178.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.7 mmt180 -59.25 -44.1 92.39 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 124.049 0.843 . . . . 63.23 110.919 177.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.501 ' O ' ' HB2' ' A' ' 71' ' ' LEU . . . -71.36 -45.32 63.19 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 115.057 -0.974 . . . . 72.03 110.287 -178.059 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.43 -43.66 96.83 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.665 0.786 . . . . 55.15 111.95 -178.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.466 ' O ' ' HG2' ' A' ' 73' ' ' GLU . 11.1 tmtt? -66.42 -51.56 55.67 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 115.027 -0.988 . . . . 72.44 108.698 -177.383 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.2 t -67.41 -27.88 67.45 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 123.274 0.629 . . . . 74.5 111.293 -177.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.501 ' HB2' ' O ' ' A' ' 67' ' ' ALA . 1.5 tt -58.99 -56.53 21.01 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 124.563 1.145 . . . . 72.23 109.984 -178.379 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.552 ' HA ' HD12 ' A' ' 75' ' ' ILE . 14.4 ptmm? -68.49 -30.36 69.18 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 115.506 -0.77 . . . . 60.03 111.765 -177.027 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.466 ' HG2' ' O ' ' A' ' 69' ' ' LYS . 11.2 mm-40 -72.65 -26.77 61.77 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.396 0.678 . . . . 73.32 111.275 178.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.506 ' O ' ' HB1' ' A' ' 41' ' ' ALA . . . -71.96 -39.59 69.25 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-O 120.914 0.388 . . . . 73.24 110.003 172.188 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.748 HD13 ' HA ' ' A' ' 88' ' ' LYS . 77.9 mt -64.93 -32.22 57.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 C-N-CA 124.018 0.927 . . . . 74.12 112.99 -174.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 63.1 p -64.25 -20.51 66.1 Favored 'General case' 0 CA--C 1.554 1.123 0 CA-C-O 120.825 0.345 . . . . 74.11 111.286 175.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -104.59 4.16 32.54 Favored 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 124.185 0.994 . . . . 73.11 112.48 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 64.6 mt . . . . . 0 N--CA 1.488 1.428 0 N-CA-C 109.426 -0.583 . . . . 75.15 109.426 174.911 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 . . . . . 0 C--O 1.246 0.885 0 N-CA-C 111.568 0.21 . . . . 75.31 111.568 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.449 ' HA ' ' HE2' ' A' ' 90' ' ' MET . . . -65.63 -35.07 79.74 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 112.655 0.613 . . . . 73.0 112.655 -166.165 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.748 ' HA ' HD13 ' A' ' 75' ' ' ILE . 55.1 tttp -65.38 -37.94 88.51 Favored 'General case' 0 C--N 1.353 0.755 0 O-C-N 123.427 0.454 . . . . 75.21 111.003 -179.681 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -66.39 -33.13 75.02 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 123.624 0.77 . . . . 75.25 109.502 176.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.449 ' HE2' ' HA ' ' A' ' 87' ' ' ALA . 58.9 mtm -69.41 -32.47 71.47 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.104 0.562 . . . . 63.41 111.266 178.283 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.41 ' O ' ' HG2' ' A' ' 95' ' ' GLU . . . -64.3 -38.02 89.54 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 122.359 0.263 . . . . 42.5 110.449 169.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.444 ' O ' ' HG2' ' A' ' 96' ' ' GLU . 51.9 mtpt -63.89 -37.82 88.82 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 123.822 0.701 . . . . 71.32 110.465 178.359 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 39.4 mmtm -63.34 -43.15 98.55 Favored 'General case' 0 N--CA 1.481 1.111 0 O-C-N 123.69 0.619 . . . . 60.21 110.188 174.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.34 -31.73 73.0 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.023 -0.989 . . . . 73.11 111.328 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.482 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 68.1 mm-40 -64.33 -51.44 63.42 Favored 'General case' 0 C--N 1.359 1.01 0 O-C-N 123.754 0.659 . . . . 72.2 109.247 172.269 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 28.3 mm-40 -55.94 -46.48 78.51 Favored 'General case' 0 N--CA 1.479 1.009 0 O-C-N 124.098 0.874 . . . . 71.31 111.36 -176.17 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 47.9 m0 -66.43 -46.68 75.66 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 123.95 0.781 . . . . 64.43 111.026 -178.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 34.2 tp -60.86 -41.57 96.19 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 124.032 0.833 . . . . 60.14 110.953 -177.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.482 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 63.9 mm-40 -75.6 -30.96 59.76 Favored 'General case' 0 N--CA 1.479 1.017 0 O-C-N 123.858 0.724 . . . . 73.31 110.693 179.589 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.59 -33.55 76.18 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.16 0.584 . . . . 72.32 110.498 178.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 . . . . . 0 CA--C 1.544 0.713 0 CA-C-N 115.447 -0.797 . . . . 74.24 112.131 178.637 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 3.5 mpp? . . . . . 0 CA--C 1.555 1.154 0 N-CA-C 110.108 -0.33 . . . . 63.42 110.108 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.55 -64.6 4.26 Favored Glycine 0 C--N 1.353 1.516 0 N-CA-C 110.39 -1.084 . . . . 22.44 110.39 -170.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 36.9 ptt180 -55.12 -25.87 34.53 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.431 1.093 . . . . 73.22 112.311 173.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.17 -50.39 73.85 Favored 'General case' 0 C--N 1.351 0.673 0 C-N-CA 123.262 0.625 . . . . 53.42 110.347 173.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.589 HD23 HD12 ' A' ' 31' ' ' ILE . 75.7 mt -67.85 -35.84 79.28 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 122.426 0.29 . . . . 75.04 111.245 177.212 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -56.81 -44.66 82.2 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 122.955 0.502 . . . . 75.45 110.536 176.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.83 -35.65 77.23 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 115.697 -0.683 . . . . 73.33 110.962 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.589 HD12 HD23 ' A' ' 28' ' ' LEU . 88.5 mt -62.64 -38.96 82.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 123.114 0.565 . . . . 63.14 109.839 173.093 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.67 -38.22 95.91 Favored Glycine 0 C--N 1.349 1.269 0 O-C-N 124.171 0.919 . . . . 51.12 112.107 177.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 93.4 mt -62.35 -42.36 99.33 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 122.898 0.479 . . . . 73.11 110.103 177.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -64.88 -46.9 79.83 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 124.172 0.92 . . . . 73.42 110.837 179.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -58.03 -50.2 74.24 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.412 0.685 . . . . 71.52 110.339 178.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -63.03 -36.56 83.99 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.379 1.072 . . . . 72.44 110.489 -176.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -67.56 -33.8 75.78 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.905 1.282 . . . . 73.35 111.249 177.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 75.1 mtm -85.42 -0.05 53.68 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.611 0.765 . . . . 53.44 111.572 177.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 95.46 -8.86 69.23 Favored Glycine 0 C--N 1.35 1.325 0 C-N-CA 122.978 0.323 . . . . 71.23 112.977 178.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 51.7 mttm -81.11 55.68 2.58 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.818 1.247 . . . . 75.42 110.929 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.77 -19.24 65.08 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.022 0.529 . . . . 65.35 111.654 179.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.536 ' NH2' ' HB2' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -63.85 -56.34 16.13 Favored 'General case' 0 C--N 1.358 0.945 0 N-CA-C 108.044 -1.095 . . . . 63.1 108.044 172.624 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -66.46 -34.17 77.33 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 115.081 -0.963 . . . . 73.51 110.552 -178.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.81 -43.34 98.32 Favored 'General case' 0 C--N 1.352 0.713 0 C-N-CA 124.234 1.014 . . . . 72.14 111.296 179.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.09 -36.69 73.22 Favored 'General case' 0 C--N 1.352 0.675 0 O-C-N 124.566 1.166 . . . . 51.22 111.63 -179.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -59.36 -53.23 60.61 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.682 0.793 . . . . 71.43 110.812 174.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.542 ' HD1' HD22 ' A' ' 28' ' ' LEU . 72.2 m-85 -66.19 -34.08 77.22 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 115.298 -0.865 . . . . 63.34 112.385 -175.008 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -69.22 -34.72 75.29 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.074 0.549 . . . . 72.23 110.769 177.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -71.9 -48.51 45.09 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.016 0.526 . . . . 72.21 110.605 -179.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 72.8 mtp180 -63.41 -31.53 72.71 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 124.259 0.974 . . . . 65.51 110.764 179.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.59 -48.53 66.57 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 123.606 0.762 . . . . 72.34 109.912 173.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.4 -33.29 72.27 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 124.225 0.953 . . . . 73.15 111.965 -177.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 96.7 mt -57.32 -45.46 85.16 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 C-N-CA 123.642 0.777 . . . . 74.41 110.621 175.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 25.8 t -62.43 -49.9 82.05 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 123.661 0.784 . . . . 74.41 110.266 -177.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -67.73 -28.57 67.76 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 115.537 -0.756 . . . . 74.2 111.979 -179.086 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -68.63 -47.58 66.26 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 122.919 0.488 . . . . 72.01 110.805 178.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -60.24 -40.55 90.64 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.326 0.651 . . . . 62.52 111.428 175.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -81.59 -3.37 53.15 Favored 'General case' 0 C--O 1.24 0.572 0 CA-C-N 115.554 -0.748 . . . . 71.11 111.713 178.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 59.23 24.53 12.98 Favored 'General case' 0 C--N 1.361 1.08 0 C-N-CA 125.333 1.453 . . . . 72.14 112.566 174.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -86.04 100.74 12.37 Favored 'General case' 0 C--O 1.24 0.574 0 N-CA-C 108.288 -1.004 . . . . 74.31 108.288 177.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 66.6 p -67.68 -25.13 65.54 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.099 0.96 . . . . 52.15 112.475 -174.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -65.95 -58.15 6.2 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.309 0.643 . . . . 71.31 110.545 -177.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -70.31 -32.06 68.61 Favored Glycine 0 C--N 1.346 1.088 0 O-C-N 124.287 0.992 . . . . 74.15 112.628 -177.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 53.6 tp -65.08 -47.09 78.51 Favored 'General case' 0 C--N 1.349 0.56 0 C-N-CA 123.317 0.647 . . . . 53.11 110.06 176.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 -67.07 -39.19 86.79 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.899 0.879 . . . . 61.44 110.209 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 51.6 ttm-85 -61.42 -47.15 87.08 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.466 1.106 . . . . 75.14 110.181 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.508 ' O ' ' HB2' ' A' ' 71' ' ' LEU . . . -75.05 -31.92 61.41 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 115.236 -0.893 . . . . 72.24 111.475 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.12 -46.17 71.63 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.825 0.85 . . . . 73.44 111.405 -179.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.423 ' HB3' ' NZ ' ' A' ' 69' ' ' LYS . 9.4 mtpm? -67.22 -49.76 63.34 Favored 'General case' 0 C--N 1.342 0.266 0 CA-C-N 114.961 -1.018 . . . . 63.5 110.38 178.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.9 t -63.19 -29.58 70.9 Favored 'General case' 0 C--N 1.355 0.839 0 O-C-N 124.132 0.895 . . . . 63.42 110.933 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.508 ' HB2' ' O ' ' A' ' 67' ' ' ALA . 1.4 tt -61.16 -55.4 32.69 Favored 'General case' 0 C--N 1.361 1.069 0 N-CA-C 108.654 -0.869 . . . . 72.4 108.654 173.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.8 tmtt? -60.87 -36.33 78.91 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 124.817 1.247 . . . . 65.0 111.468 -178.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -70.94 -31.02 67.49 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.195 0.998 . . . . 70.51 110.323 178.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.434 ' O ' HG13 ' A' ' 78' ' ' ILE . . . -72.98 -33.07 65.6 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.132 0.573 . . . . 70.24 110.778 173.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.653 HG21 ' HG2' ' A' ' 88' ' ' LYS . 32.4 mm -62.82 -51.34 73.16 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 O-C-N 123.873 0.733 . . . . 75.12 111.113 -177.36 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 33.7 p -74.01 -4.67 36.76 Favored 'General case' 0 CA--C 1.552 1.023 0 CA-C-N 114.76 -1.109 . . . . 75.21 111.715 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -107.05 -4.89 18.48 Favored 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 124.107 0.963 . . . . 50.03 112.543 174.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' ' 74' ' ' ALA . 63.6 mt . . . . . 0 N--CA 1.493 1.723 0 C-N-CA 123.064 0.546 . . . . 75.03 111.763 -175.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 . . . . . 0 N--CA 1.48 1.046 0 CA-C-O 120.973 0.416 . . . . 71.11 111.673 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.536 ' HB2' ' NH2' ' A' ' 42' ' ' ARG . . . -77.29 -31.48 54.83 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.415 -0.812 . . . . 61.35 111.65 -178.261 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.653 ' HG2' HG21 ' A' ' 75' ' ' ILE . 6.8 tmtt? -63.4 -37.3 86.77 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.327 0.651 . . . . 73.04 109.506 -179.617 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -60.29 -38.57 84.03 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.81 0.844 . . . . 75.52 110.665 176.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.444 ' HE2' ' HA ' ' A' ' 87' ' ' ALA . 34.7 mtm -70.88 -35.64 72.43 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 115.258 -0.883 . . . . 62.53 110.758 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.62 -33.33 75.37 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.549 0.74 . . . . 74.12 110.696 176.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -63.25 -47.35 82.82 Favored 'General case' 0 C--N 1.358 0.947 0 O-C-N 123.844 0.715 . . . . 72.35 109.674 174.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 18.7 mmtp -60.7 -48.11 83.24 Favored 'General case' 0 N--CA 1.481 1.095 0 O-C-N 123.992 0.807 . . . . 55.53 111.995 -177.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.04 -34.11 75.64 Favored 'General case' 0 CA--C 1.55 0.969 0 O-C-N 124.063 0.852 . . . . 52.41 111.628 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -68.65 -41.97 78.59 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 124.696 1.198 . . . . 73.43 109.547 176.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -69.69 -32.54 71.21 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 124.186 0.995 . . . . 73.34 111.872 -178.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 53.3 m0 -66.54 -41.91 87.98 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 123.863 0.727 . . . . 74.25 109.494 176.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 50.3 tp -60.32 -41.71 94.09 Favored 'General case' 0 CA--C 1.55 0.966 0 O-C-N 124.156 0.91 . . . . 75.24 110.835 175.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -62.46 -44.97 95.12 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.644 0.778 . . . . 74.25 111.061 176.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.48 -31.05 70.94 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.027 0.931 . . . . 62.25 111.513 -175.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 . . . . . 0 N--CA 1.471 0.611 0 C-N-CA 123.494 0.717 . . . . 74.2 110.855 176.447 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 1.6 pmm? . . . . . 0 CA--C 1.543 0.701 0 N-CA-C 109.116 -0.698 . . . . 71.02 109.116 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.8 -58.3 4.98 Favored Glycine 0 C--N 1.341 0.822 0 CA-C-N 116.258 -0.428 . . . . 52.44 112.591 -177.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 48.1 ttt85 -61.94 -30.13 70.7 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.873 0.869 . . . . 74.13 111.951 -174.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.43 -33.74 65.08 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 122.744 0.418 . . . . 50.33 110.86 178.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.497 ' O ' ' HB3' ' A' ' 47' ' ' TYR . 69.7 mt -65.19 -42.05 93.99 Favored 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 109.754 -0.462 . . . . 74.43 109.754 172.217 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.425 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 58.8 t80 -55.52 -43.65 75.9 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.633 0.773 . . . . 65.43 109.929 174.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.43 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 14.8 m120 -65.03 -42.13 94.62 Favored 'General case' 0 C--N 1.347 0.488 0 CA-C-N 115.741 -0.663 . . . . 74.12 111.393 178.693 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.442 HD12 HD23 ' A' ' 28' ' ' LEU . 96.6 mt -59.61 -41.54 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 O-C-N 123.727 0.642 . . . . 63.0 109.999 175.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.85 -41.37 99.88 Favored Glycine 0 C--N 1.344 1.027 0 O-C-N 124.188 0.93 . . . . 73.21 112.48 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 29' ' ' TYR . 88.0 mt -59.06 -39.21 81.37 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.151 0.58 . . . . 72.44 110.346 178.014 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.43 ' HG2' ' O ' ' A' ' 30' ' ' ASN . 22.6 mm-40 -77.28 -38.72 50.26 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 123.802 0.689 . . . . 74.11 111.228 -178.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -57.88 -44.03 86.42 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.214 0.606 . . . . 71.24 109.717 176.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -61.8 -30.32 70.74 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-N 114.97 -1.014 . . . . 73.22 110.664 -178.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.424 ' HG2' ' O ' ' A' ' 33' ' ' LEU . 46.1 mmtm -76.3 -33.73 59.07 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.243 0.617 . . . . 71.41 110.393 178.025 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 89.7 mtp -75.84 -6.8 52.48 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.673 0.789 . . . . 72.32 111.634 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 96.95 -5.53 63.7 Favored Glycine 0 C--N 1.353 1.514 0 C-N-CA 123.222 0.439 . . . . 73.14 112.043 -177.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 47.6 mttm -87.39 62.63 7.28 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.66 1.184 . . . . 62.05 110.604 -177.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.89 -21.62 60.88 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 122.881 0.472 . . . . 53.44 111.773 -177.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.474 ' HB2' HG23 ' A' ' 78' ' ' ILE . 5.7 tmm_? -72.66 -48.39 39.58 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.536 0.735 . . . . 74.44 109.888 176.188 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -61.22 -42.33 98.42 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 109.409 -0.589 . . . . 74.32 109.409 174.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.89 -47.83 70.71 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 124.417 1.073 . . . . 61.41 110.678 177.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.21 -38.71 77.3 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 124.459 1.1 . . . . 72.24 111.439 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.482 ' HB3' ' NH1' ' A' ' 50' ' ' ARG . 62.8 mt-10 -68.63 -37.18 79.52 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.252 0.621 . . . . 74.35 111.615 178.364 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.497 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 51.6 m-85 -74.29 -31.67 62.6 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.244 0.618 . . . . 75.52 111.478 179.506 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -71.15 -34.59 71.13 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 123.619 0.574 . . . . 74.21 109.968 174.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.453 ' O ' HG13 ' A' ' 53' ' ' ILE . 60.7 t80 -68.94 -52.49 28.62 Favored 'General case' 0 C--N 1.347 0.459 0 CA-C-N 116.055 -0.521 . . . . 74.2 110.644 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.482 ' NH1' ' HB3' ' A' ' 46' ' ' GLU . 64.7 mtt85 -67.19 -30.03 69.86 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.71 0.804 . . . . 54.03 111.353 -177.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.04 -51.22 67.56 Favored 'General case' 0 C--O 1.238 0.457 0 O-C-N 123.68 0.613 . . . . 13.54 109.553 169.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.415 ' HB1' HD12 ' A' ' 64' ' ' LEU . . . -59.76 -33.39 71.61 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 114.878 -1.055 . . . . 75.33 112.062 -176.696 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.466 HD12 ' HA ' ' A' ' 50' ' ' ARG . 90.6 mt -57.95 -49.45 81.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 123.694 0.798 . . . . 73.21 110.439 176.558 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 82.4 t -60.92 -47.09 95.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 123.194 0.598 . . . . 75.54 110.944 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -65.03 -29.06 69.94 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 115.877 -0.601 . . . . 74.21 111.723 -179.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -74.56 -46.02 41.59 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.233 0.613 . . . . 73.01 110.618 178.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -55.41 -44.2 75.99 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.486 0.715 . . . . 72.43 111.053 172.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -78.48 -13.84 59.65 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 115.249 -0.887 . . . . 54.13 110.722 -179.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 61.53 28.2 17.53 Favored 'General case' 0 C--N 1.354 0.786 0 C-N-CA 124.791 1.237 . . . . 75.41 112.064 -178.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -81.2 88.63 6.02 Favored 'General case' 0 C--O 1.24 0.562 0 N-CA-C 108.059 -1.089 . . . . 72.43 108.059 170.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 23.5 m -57.93 -28.58 64.41 Favored 'General case' 0 CA--C 1.55 0.98 0 CA-C-N 114.354 -1.294 . . . . 62.44 111.969 -178.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -64.65 -58.41 6.39 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.097 0.959 . . . . 65.44 111.483 -178.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -71.22 -31.4 66.32 Favored Glycine 0 C--N 1.342 0.903 0 CA-C-N 115.636 -0.711 . . . . 64.43 112.508 -178.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.415 HD12 ' HB1' ' A' ' 52' ' ' ALA . 62.1 tp -60.36 -42.47 95.82 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.159 0.584 . . . . 72.23 109.62 172.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -68.8 -38.38 79.9 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 124.038 0.836 . . . . 54.34 110.342 -179.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 26.9 mmt180 -61.25 -46.93 88.34 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 123.667 0.604 . . . . 74.44 110.681 176.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -73.28 -32.95 64.97 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.558 0.743 . . . . 65.24 111.295 -178.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.88 -45.19 62.14 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.538 0.735 . . . . 71.02 110.602 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -64.48 -41.65 96.36 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 124.506 1.129 . . . . 71.5 110.153 -179.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 65.7 m -68.1 -33.79 75.18 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 115.745 -0.661 . . . . 51.45 111.475 177.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.25 -54.35 21.75 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.316 0.646 . . . . 62.13 110.492 -177.563 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -65.42 -32.25 73.78 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 115.328 -0.851 . . . . 74.42 112.138 -174.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -87.98 -15.69 35.77 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 122.735 0.414 . . . . 73.54 110.849 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.405 ' O ' HG13 ' A' ' 78' ' ' ILE . . . -73.75 -25.51 60.2 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 122.684 0.394 . . . . 70.12 110.853 175.018 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.579 HG21 ' HD3' ' A' ' 88' ' ' LYS . 37.9 mm -60.25 -42.62 91.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 O-C-N 124.111 0.882 . . . . 72.51 111.492 -175.159 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 39.7 p -70.87 -20.46 62.52 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 122.995 0.518 . . . . 54.43 111.864 -178.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.67 -14.01 33.09 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.553 0.741 . . . . 75.33 111.57 177.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.474 HG23 ' HB2' ' A' ' 42' ' ' ARG . 58.3 mt . . . . . 0 N--CA 1.48 1.052 0 C-N-CA 123.337 0.655 . . . . 71.22 110.159 178.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 . . . . . 0 CA--C 1.549 0.942 0 N-CA-C 111.864 0.32 . . . . 71.21 111.864 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.09 -31.07 67.34 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 122.438 0.295 . . . . 74.35 111.724 -178.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.579 ' HD3' HG21 ' A' ' 75' ' ' ILE . 55.8 tptt -58.11 -41.61 83.93 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 123.921 0.763 . . . . 63.31 110.218 175.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -69.71 -30.24 67.82 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 115.505 -0.77 . . . . 73.11 111.55 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 43.3 mtm -69.5 -39.16 77.76 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 122.779 0.432 . . . . 74.15 110.6 175.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.34 -38.5 84.0 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 115.572 -0.74 . . . . 64.51 110.312 175.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.467 ' HG3' ' O ' ' A' ' 88' ' ' LYS . 91.5 mttt -60.62 -45.96 92.06 Favored 'General case' 0 C--N 1.351 0.666 0 O-C-N 124.203 0.939 . . . . 74.24 110.332 176.126 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 18.6 mmtm -61.26 -40.76 95.29 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.43 0.692 . . . . 45.44 111.629 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.53 -39.17 90.09 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 123.991 0.807 . . . . 74.43 110.856 179.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -69.88 -40.17 75.87 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.599 0.759 . . . . 41.44 110.863 177.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.433 ' HG3' ' O ' ' A' ' 92' ' ' LYS . 47.5 mt-10 -62.71 -40.65 97.84 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.603 0.761 . . . . 73.42 110.703 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 51.6 m0 -66.03 -42.58 89.41 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.081 -0.963 . . . . 64.21 110.482 176.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 34.0 tp -62.85 -38.18 89.8 Favored 'General case' 0 CA--C 1.546 0.816 0 O-C-N 123.889 0.743 . . . . 60.43 110.769 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -73.48 -31.78 63.95 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.145 0.578 . . . . 62.4 110.84 177.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.29 -41.89 80.31 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.249 0.62 . . . . 63.42 110.921 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 . . . . . 0 N--CA 1.467 0.413 0 CA-C-N 115.636 -0.711 . . . . 70.11 110.3 177.533 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 12.7 mtm . . . . . 0 N--CA 1.475 0.781 0 N-CA-C 108.947 -0.76 . . . . 73.21 108.947 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.83 -58.63 4.91 Favored Glycine 0 C--N 1.352 1.421 0 N-CA-C 111.668 -0.573 . . . . 65.4 111.668 -179.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -55.85 -32.17 63.4 Favored 'General case' 0 C--N 1.348 0.543 0 C-N-CA 124.758 1.223 . . . . 74.24 110.035 168.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.477 ' O ' HG13 ' A' ' 31' ' ' ILE . . . -60.82 -53.37 58.12 Favored 'General case' 0 C--N 1.355 0.81 0 O-C-N 123.726 0.641 . . . . 74.11 110.774 175.36 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.564 ' HA ' HD12 ' A' ' 31' ' ' ILE . 19.5 mt -59.28 -40.0 84.74 Favored 'General case' 0 N--CA 1.495 1.804 0 C-N-CA 122.811 0.444 . . . . 73.21 111.433 177.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -62.73 -42.45 99.67 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.792 0.837 . . . . 72.23 110.654 178.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.476 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 5.0 t-20 -68.84 -38.28 79.72 Favored 'General case' 0 C--N 1.35 0.624 0 C-N-CA 123.827 0.851 . . . . 62.32 109.495 -175.183 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.564 HD12 ' HA ' ' A' ' 28' ' ' LEU . 32.7 mt -62.02 -41.99 93.16 Favored 'Isoleucine or valine' 0 C--N 1.357 0.893 0 O-C-N 124.177 0.923 . . . . 44.03 109.832 173.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.26 -37.91 92.52 Favored Glycine 0 C--N 1.354 1.529 0 O-C-N 123.863 0.727 . . . . 45.54 112.623 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 62.4 mt -63.46 -36.46 83.84 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.723 0.809 . . . . 71.24 110.203 175.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.476 ' HG2' ' O ' ' A' ' 30' ' ' ASN . 44.9 mm-40 -77.52 -30.59 52.97 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.349 1.06 . . . . 64.4 111.988 -179.092 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.416 ' HG2' ' O ' ' A' ' 31' ' ' ILE . 75.8 mmtt -67.99 -48.49 65.62 Favored 'General case' 0 C--N 1.345 0.406 0 N-CA-C 107.958 -1.127 . . . . 61.11 107.958 174.204 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 35.9 t-20 -60.7 -33.82 73.45 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 124.227 1.011 . . . . 62.01 110.226 178.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.9 ttmp? -59.13 -43.24 91.96 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.588 0.755 . . . . 64.11 110.339 175.156 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.409 ' HB2' ' HG2' ' A' ' 40' ' ' LYS . 73.2 mtm -80.04 -9.82 59.72 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 115.612 -0.722 . . . . 75.21 112.01 -178.426 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 90.49 8.39 66.01 Favored Glycine 0 C--N 1.342 0.889 0 N-CA-C 112.652 -0.179 . . . . 71.51 112.652 -175.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.409 ' HG2' ' HB2' ' A' ' 38' ' ' MET . 69.2 mmtt -81.31 80.29 7.75 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.826 0.85 . . . . 61.42 108.793 175.642 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.499 ' HB1' ' O ' ' A' ' 74' ' ' ALA . . . -78.48 -34.2 47.74 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.562 -0.745 . . . . 43.45 111.888 -173.073 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -65.45 -48.74 71.65 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.472 0.709 . . . . 74.3 109.612 176.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.43 ' O ' ' HD2' ' A' ' 47' ' ' TYR . 44.3 mt-10 -61.04 -46.85 89.03 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 124.037 0.835 . . . . 71.44 109.731 176.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.25 -49.83 66.07 Favored 'General case' 0 C--N 1.358 0.977 0 O-C-N 124.127 0.892 . . . . 21.44 110.666 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.91 -43.94 81.87 Favored 'General case' 0 CA--C 1.55 0.952 0 O-C-N 124.483 1.114 . . . . 45.24 112.023 -178.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -72.03 -38.7 69.51 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.104 0.562 . . . . 64.34 111.813 -178.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.43 ' HD2' ' O ' ' A' ' 43' ' ' GLU . 41.3 m-85 -67.75 -30.39 69.85 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.533 0.733 . . . . 65.31 110.469 177.023 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -75.33 -35.5 61.2 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.487 0.715 . . . . 72.22 110.972 174.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -70.08 -52.8 20.94 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 123.579 0.549 . . . . 73.24 110.55 -177.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.505 ' O ' HG23 ' A' ' 54' ' ' VAL . 61.6 mtp180 -61.09 -37.24 82.01 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 115.279 -0.873 . . . . 74.41 110.583 178.465 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.11 -47.13 87.17 Favored 'General case' 0 C--N 1.355 0.841 0 O-C-N 123.763 0.664 . . . . 64.01 110.312 173.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.08 -31.76 73.08 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.735 0.814 . . . . 33.2 111.621 -178.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 95.4 mt -62.7 -47.17 94.18 Favored 'Isoleucine or valine' 0 C--N 1.358 0.955 0 C-N-CA 123.435 0.694 . . . . 53.44 109.872 174.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 50' ' ' ARG . 47.8 t -68.89 -41.27 81.98 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.852 0 C-N-CA 123.506 0.722 . . . . 62.14 110.761 -177.534 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -62.07 -38.16 87.76 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.672 0.789 . . . . 72.42 110.353 176.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.445 ' CD1' ' HB3' ' A' ' 97' ' ' TRP . 50.0 t80 -69.58 -44.88 69.92 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.055 0.542 . . . . 73.33 111.235 179.565 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -54.54 -44.52 72.91 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 124.103 0.961 . . . . 75.54 111.865 174.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -83.84 -10.63 57.9 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 115.99 -0.55 . . . . 74.33 111.157 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 65.1 m-70 60.68 30.51 19.76 Favored 'General case' 0 C--N 1.355 0.81 0 C-N-CA 124.903 1.281 . . . . 71.22 111.705 -177.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -80.44 90.64 5.65 Favored 'General case' 0 C--O 1.244 0.8 0 N-CA-C 107.341 -1.355 . . . . 63.53 107.341 171.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 18.2 m -69.52 -26.12 64.37 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 114.597 -1.183 . . . . 61.43 111.761 -171.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -63.41 -52.11 62.95 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.298 0.639 . . . . 70.32 110.737 -177.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -67.7 -40.53 90.13 Favored Glycine 0 C--N 1.348 1.203 0 CA-C-N 115.052 -0.976 . . . . 64.42 112.179 178.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 62.2 tp -60.22 -36.92 78.79 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.615 1.166 . . . . 61.51 111.08 177.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 28.4 ttp180 -65.58 -51.2 61.54 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.634 1.174 . . . . 72.31 110.81 -179.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 48.0 ttt-85 -73.72 -30.43 62.84 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 114.75 -1.114 . . . . 71.32 110.063 -175.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.472 ' O ' ' HB2' ' A' ' 71' ' ' LEU . . . -69.95 -35.19 74.3 Favored 'General case' 0 C--N 1.353 0.746 0 C-N-CA 123.473 0.709 . . . . 70.25 111.107 177.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.1 -41.12 96.09 Favored 'General case' 0 N--CA 1.478 0.96 0 O-C-N 123.84 0.712 . . . . 72.42 111.402 178.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -75.85 -50.94 13.68 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 115.547 -0.752 . . . . 71.24 111.044 178.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 55.2 m -59.69 -30.05 68.51 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.238 0.615 . . . . 74.25 111.783 -176.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.472 ' HB2' ' O ' ' A' ' 67' ' ' ALA . 0.6 OUTLIER -60.83 -55.5 32.34 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 123.873 0.869 . . . . 75.43 109.543 178.182 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.617 ' HA ' HD12 ' A' ' 75' ' ' ILE . 18.6 ptpt -68.69 -29.61 68.1 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 112.289 0.477 . . . . 62.44 112.289 -175.574 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -70.3 -35.16 73.5 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.861 0.464 . . . . 64.23 110.608 177.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.499 ' O ' ' HB1' ' A' ' 41' ' ' ALA . . . -67.69 -38.31 83.52 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 116.13 -0.486 . . . . 63.11 110.334 172.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.869 HD13 ' HA ' ' A' ' 88' ' ' LYS . 64.6 mt -65.35 -41.4 91.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 123.562 0.745 . . . . 72.32 112.548 -177.681 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 73.1 p -62.48 -24.89 67.71 Favored 'General case' 0 CA--C 1.551 1.003 0 O-C-N 123.381 0.426 . . . . 75.22 110.836 176.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -89.81 -16.83 29.33 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.973 0.909 . . . . 75.23 112.394 178.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 69.3 mt . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.155 -0.683 . . . . 65.32 109.155 176.15 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 . . . . . 0 CA--C 1.539 0.521 0 N-CA-C 108.866 -0.79 . . . . 72.4 108.866 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -77.1 -25.84 52.68 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.561 0.745 . . . . 54.02 111.829 177.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.869 ' HA ' HD13 ' A' ' 75' ' ' ILE . 85.5 tttt -59.86 -41.57 91.78 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-O 121.797 0.808 . . . . 60.42 112.436 -172.298 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -73.66 -24.36 59.97 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 114.366 -1.288 . . . . 71.2 110.966 -178.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 28.3 mtm -61.37 -34.78 75.88 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 122.834 0.453 . . . . 64.02 111.302 172.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.444 ' HA ' HD13 ' A' ' 71' ' ' LEU . . . -60.94 -43.53 98.54 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.147 0.579 . . . . 23.32 110.303 175.154 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.528 ' O ' ' HG2' ' A' ' 96' ' ' GLU . 39.3 ttmt -58.19 -43.35 87.49 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 124.538 1.149 . . . . 55.11 110.366 176.374 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -58.8 -45.23 90.35 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.975 0.91 . . . . 75.43 112.008 178.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.79 -33.0 74.29 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.35 0.66 . . . . 65.2 110.784 178.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 40.7 mt-10 -74.66 -34.02 62.63 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.731 0.812 . . . . 72.34 111.538 175.615 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.528 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 10.4 mm-40 -58.95 -46.74 87.28 Favored 'General case' 0 N--CA 1.488 1.437 0 CA-C-O 121.761 0.791 . . . . 72.4 109.903 178.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . 0.445 ' HB3' ' CD1' ' A' ' 56' ' ' TYR . 22.9 m0 -68.66 -37.66 79.81 Favored 'General case' 0 C--N 1.34 0.189 0 CA-C-N 113.719 -1.582 . . . . 53.11 110.343 179.576 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 35.1 tp -63.01 -36.43 83.54 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 115.767 -0.651 . . . . 72.04 111.019 177.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.401 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 83.9 mm-40 -74.7 -30.62 61.61 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.148 0.579 . . . . 74.13 110.971 177.323 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.31 -34.35 78.13 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 123.649 0.593 . . . . 74.12 110.49 175.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 . . . . . 0 N--CA 1.474 0.771 0 C-N-CA 123.626 0.77 . . . . 75.04 110.747 176.812 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 21.6 mtm . . . . . 0 N--CA 1.476 0.829 0 N-CA-C 108.598 -0.89 . . . . 61.03 108.598 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.67 -68.14 3.42 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 118.718 0.69 . . . . 55.32 111.749 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -60.75 -23.08 64.68 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.543 1.137 . . . . 71.32 111.942 178.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.9 -45.91 89.15 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.099 0.56 . . . . 53.13 111.495 175.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.514 ' HA ' HD12 ' A' ' 31' ' ' ILE . 46.4 mt -62.65 -37.89 88.13 Favored 'General case' 0 N--CA 1.483 1.219 0 O-C-N 123.39 0.431 . . . . 74.33 111.113 174.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -57.16 -45.18 83.86 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 123.728 0.642 . . . . 74.23 111.091 -179.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -66.81 -34.73 78.45 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 122.935 0.494 . . . . 65.13 111.465 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.514 HD12 ' HA ' ' A' ' 28' ' ' LEU . 75.3 mt -64.76 -37.37 79.98 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 C-N-CA 123.544 0.738 . . . . 75.33 109.979 176.136 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -65.99 -41.66 95.14 Favored Glycine 0 C--N 1.352 1.419 0 CA-C-N 115.267 -0.879 . . . . 74.1 112.584 178.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.9 mt -58.71 -35.83 73.28 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.364 0.666 . . . . 71.22 110.761 177.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.508 ' HA ' ' HE2' ' A' ' 37' ' ' LYS . 51.4 mm-40 -68.82 -46.19 69.26 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 115.362 -0.836 . . . . 74.32 111.304 177.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm -61.89 -34.2 75.6 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.284 0.634 . . . . 74.2 111.697 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -67.07 -41.96 85.5 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.977 0.911 . . . . 72.41 110.308 -176.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.508 ' HE2' ' HA ' ' A' ' 34' ' ' GLU . 51.8 mtmt -62.73 -41.82 99.37 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 123.168 0.587 . . . . 71.43 110.649 176.212 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 73.2 mtm -80.06 1.87 26.08 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 115.037 -0.983 . . . . 63.31 111.651 -175.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 99.47 -23.45 36.16 Favored Glycine 0 C--N 1.353 1.496 0 CA-C-O 119.801 -0.444 . . . . 73.41 113.448 169.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt -82.03 76.6 8.91 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.141 0.577 . . . . 73.23 110.277 -176.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.459 ' HB3' ' HA ' ' A' ' 78' ' ' ILE . . . -83.57 -4.53 58.64 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 115.582 -0.735 . . . . 73.11 112.569 -173.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.406 ' HG2' HD13 ' A' ' 78' ' ' ILE . 29.2 mtm180 -73.08 -45.25 58.34 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-N 118.184 0.447 . . . . 71.33 109.91 165.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -66.21 -38.36 87.76 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 114.956 -1.02 . . . . 63.3 109.773 175.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.45 ' HB3' ' HA ' ' A' ' 41' ' ' ALA . . . -57.46 -50.05 74.3 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 122.662 0.385 . . . . 72.23 110.35 171.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.13 -46.06 83.0 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 124.442 1.089 . . . . 75.43 112.695 -177.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -70.94 -32.79 69.78 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 122.516 0.326 . . . . 75.34 111.817 -176.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.433 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 24.5 m-85 -70.27 -36.85 74.69 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 122.229 0.212 . . . . 75.23 110.786 175.564 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.592 ' HB2' ' HG ' ' A' ' 71' ' ' LEU . 22.4 m-85 -67.66 -31.91 72.22 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 123.651 0.594 . . . . 61.14 110.765 175.003 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -74.93 -51.98 12.38 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 123.71 0.631 . . . . 72.24 111.233 -177.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 62.8 mtp180 -64.12 -33.0 74.78 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 123.863 0.727 . . . . 63.53 110.364 -178.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.05 -46.78 73.34 Favored 'General case' 0 C--N 1.349 0.569 0 CA-C-N 115.93 -0.577 . . . . 75.3 109.783 172.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.39 -29.83 70.17 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.859 0.864 . . . . 74.03 112.163 -179.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.431 ' O ' ' HD3' ' A' ' 57' ' ' LYS . 88.4 mt -60.1 -54.5 33.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 N-CA-C 109.105 -0.702 . . . . 74.14 109.105 172.567 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 59.9 t -62.33 -34.77 65.98 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.872 0 C-N-CA 123.845 0.858 . . . . 63.22 111.041 -177.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -68.36 -49.85 57.32 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 116.148 -0.478 . . . . 75.42 110.595 178.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -62.81 -46.81 86.25 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.479 0.712 . . . . 74.44 111.936 -176.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.431 ' HD3' ' O ' ' A' ' 53' ' ' ILE . 5.4 mptp? -56.15 -42.43 76.97 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.056 0.943 . . . . 44.22 111.637 177.215 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -86.73 -8.61 57.24 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 115.808 -0.633 . . . . 73.24 112.065 178.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 61.0 61.85 1.54 Allowed 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.968 1.307 . . . . 71.44 112.118 -179.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -113.94 86.98 2.52 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 125.245 1.418 . . . . 62.13 107.769 174.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.4 m -68.27 -23.59 64.78 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.616 0.767 . . . . 70.34 111.221 -176.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -57.26 -57.47 12.46 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.947 1.299 . . . . 74.45 110.221 174.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -72.78 -38.87 56.39 Favored Glycine 0 C--N 1.343 0.966 0 CA-C-N 114.974 -1.012 . . . . 74.04 112.804 177.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 61.6 tp -62.37 -44.37 96.63 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.668 0.787 . . . . 53.44 111.421 -175.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 64.5 ttt180 -64.99 -45.31 86.11 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.462 0.705 . . . . 64.33 110.192 179.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 36.6 ttp-105 -69.13 -33.72 73.9 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 114.663 -1.153 . . . . 75.5 111.212 -175.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.459 ' O ' ' HB2' ' A' ' 71' ' ' LEU . . . -75.85 -41.24 52.94 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.82 0.848 . . . . 71.01 110.556 176.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.36 -42.47 98.89 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 124.098 0.959 . . . . 71.22 111.404 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.437 ' O ' ' HG2' ' A' ' 73' ' ' GLU . 22.5 tptm -66.69 -52.09 48.6 Favored 'General case' 0 C--N 1.345 0.397 0 CA-C-N 114.658 -1.155 . . . . 73.41 109.865 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 78.2 p -63.45 -30.05 71.23 Favored 'General case' 0 C--N 1.349 0.546 0 O-C-N 123.916 0.76 . . . . 63.43 111.484 -178.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.592 ' HG ' ' HB2' ' A' ' 48' ' ' PHE . 0.7 OUTLIER -63.75 -51.81 63.22 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.082 0.953 . . . . 71.34 109.031 177.735 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.7 tmmm? -69.1 -33.54 73.68 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 123.992 0.917 . . . . 53.52 111.363 -177.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 69' ' ' LYS . 26.4 mm-40 -69.88 -33.13 71.82 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 110.083 -0.34 . . . . 60.41 110.083 173.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.538 ' O ' HG13 ' A' ' 78' ' ' ILE . . . -69.34 -32.09 70.95 Favored 'General case' 0 C--O 1.214 -0.785 0 CA-C-O 118.841 -0.6 . . . . 60.35 110.918 177.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.44 HG12 ' O ' ' A' ' 71' ' ' LEU . 36.5 mm -60.64 -49.93 82.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 C-N-CA 123.249 0.62 . . . . 72.23 111.558 -177.255 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 17.0 p -68.1 -27.79 66.78 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 123.892 0.745 . . . . 64.41 111.207 175.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -82.2 -8.56 59.65 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.796 0.839 . . . . 74.24 112.504 179.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.538 HG13 ' O ' ' A' ' 74' ' ' ALA . 78.3 mt . . . . . 0 CA--C 1.554 1.126 0 N-CA-C 109.432 -0.581 . . . . 33.41 109.432 176.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 . . . . . 0 N--CA 1.478 0.967 0 CA-C-O 120.612 0.244 . . . . 74.15 111.33 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.23 -26.0 65.48 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.85 0.86 . . . . 53.55 112.352 -170.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -61.31 -34.2 74.83 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.86 0.864 . . . . 75.35 111.938 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -65.38 -30.59 71.43 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 115.63 -0.714 . . . . 74.2 110.896 178.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 40.5 mtm -72.65 -40.82 66.06 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 115.496 -0.774 . . . . 74.34 110.174 177.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.502 ' HB2' HD22 ' A' ' 71' ' ' LEU . . . -61.48 -42.6 99.03 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.15 0.58 . . . . 71.5 110.53 174.55 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.436 ' O ' ' HG2' ' A' ' 96' ' ' GLU . 56.6 tptt -59.76 -47.35 86.04 Favored 'General case' 0 C--O 1.223 -0.335 0 O-C-N 124.882 1.364 . . . . 60.02 109.359 178.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 15.7 mmtm -59.83 -44.4 94.07 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 124.451 1.095 . . . . 32.24 111.509 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.29 -39.65 92.83 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.185 0.594 . . . . 74.13 111.713 -177.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -75.39 -28.54 59.5 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.564 0.746 . . . . 65.34 110.772 178.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 15.8 mm-40 -66.09 -40.51 90.86 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 122.95 0.5 . . . . 72.43 109.78 172.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 47.7 m0 -66.44 -35.58 80.65 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.585 0.754 . . . . 74.55 111.038 177.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 51.4 tp -59.57 -50.31 74.38 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 123.882 0.739 . . . . 73.42 110.211 175.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -65.51 -30.79 71.6 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.274 0.63 . . . . 72.2 110.949 178.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.45 -33.49 75.25 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.698 0.799 . . . . 75.54 111.249 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 . . . . . 0 C--N 1.352 0.677 0 C-N-CA 122.926 0.49 . . . . 74.42 111.105 175.958 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 35.3 mtm . . . . . 0 N--CA 1.478 0.929 0 N-CA-C 109.663 -0.495 . . . . 75.22 109.663 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.64 -62.74 3.97 Favored Glycine 0 C--N 1.348 1.208 0 N-CA-C 111.427 -0.669 . . . . 72.22 111.427 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 37.5 ttt-85 -64.53 -22.66 67.03 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 123.328 0.651 . . . . 74.04 110.654 176.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.21 -47.09 81.08 Favored 'General case' 0 C--N 1.347 0.462 0 C-N-CA 122.875 0.47 . . . . 65.13 111.179 174.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.456 HD23 HD12 ' A' ' 31' ' ' ILE . 26.4 mt -67.03 -38.66 86.3 Favored 'General case' 0 C--N 1.365 1.274 0 CA-C-O 120.847 0.356 . . . . 75.32 110.536 176.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -56.74 -42.8 79.93 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 124.218 1.007 . . . . 75.13 111.055 174.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -71.63 -38.49 70.77 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.034 0.934 . . . . 71.24 110.453 -175.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.456 HD12 HD23 ' A' ' 28' ' ' LEU . 91.5 mt -61.14 -41.96 91.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 123.681 0.792 . . . . 70.11 109.57 172.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -60.29 -36.56 91.19 Favored Glycine 0 C--N 1.352 1.435 0 CA-C-N 115.289 -0.869 . . . . 72.41 112.751 177.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.1 mt -68.35 -43.8 76.65 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.264 0.625 . . . . 72.31 110.3 176.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -63.08 -33.41 75.39 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.325 0.65 . . . . 62.33 111.073 178.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.486 ' HD3' ' HB3' ' A' ' 43' ' ' GLU . 64.3 mttm -72.78 -46.16 54.75 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.441 0.696 . . . . 74.43 110.638 175.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -59.69 -33.68 71.9 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.56 0.744 . . . . 75.32 110.323 178.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -63.46 -38.45 91.2 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.031 1.332 . . . . 72.23 111.038 176.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.452 ' HE2' ' HA ' ' A' ' 35' ' ' LYS . 51.1 mtm -83.62 6.85 19.27 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.646 0.778 . . . . 70.33 111.393 178.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.57 2.02 90.06 Favored Glycine 0 C--N 1.356 1.642 0 CA-C-O 120.174 -0.236 . . . . 61.32 113.063 -178.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp -82.73 78.92 9.27 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.376 0.67 . . . . 73.12 109.893 178.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.67 -33.18 53.42 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.686 0.794 . . . . 54.25 111.065 179.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 47.6 tpt85 -66.13 -45.83 79.66 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.77 0.828 . . . . 72.54 110.431 -179.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.486 ' HB3' ' HD3' ' A' ' 35' ' ' LYS . 47.9 mt-10 -69.77 -39.85 76.41 Favored 'General case' 0 C--N 1.353 0.757 0 O-C-N 123.66 0.6 . . . . 74.41 110.64 175.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.76 -43.3 72.61 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 123.755 0.659 . . . . 63.44 111.283 -179.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.24 -39.07 85.42 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 124.116 0.885 . . . . 34.51 112.752 -178.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.429 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 14.5 mm-40 -58.19 -51.27 70.45 Favored 'General case' 0 N--CA 1.477 0.875 0 O-C-N 123.825 0.703 . . . . 73.55 110.329 177.515 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -72.89 -30.88 64.28 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.347 1.059 . . . . 74.54 112.192 -174.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -68.82 -32.01 71.41 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 122.854 0.461 . . . . 72.43 111.01 174.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.441 ' CG ' ' HB3' ' A' ' 90' ' ' MET . 27.4 t80 -72.48 -47.91 44.96 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 123.454 0.471 . . . . 73.21 110.842 178.132 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.429 ' HG3' ' O ' ' A' ' 46' ' ' GLU . 85.8 mtt180 -61.03 -38.56 86.56 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 124.097 0.873 . . . . 75.31 109.765 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.33 -47.34 84.65 Favored 'General case' 0 C--N 1.348 0.539 0 CA-C-N 115.131 -0.941 . . . . 60.34 110.517 173.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.72 -36.06 79.86 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.52 0.728 . . . . 62.4 112.11 -178.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 95.7 mt -59.17 -48.86 85.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 123.978 0.911 . . . . 73.01 110.089 174.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.511 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 85.9 t -60.35 -53.11 53.3 Favored 'Isoleucine or valine' 0 C--N 1.351 0.661 0 O-C-N 124.145 0.903 . . . . 51.14 110.225 -179.371 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -60.74 -31.02 70.35 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.235 0.614 . . . . 73.3 112.415 -179.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 30.2 t80 -70.77 -49.98 40.86 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.307 0.643 . . . . 62.11 111.304 177.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -74.43 -21.36 59.65 Favored 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 112.625 0.602 . . . . 72.52 112.625 -177.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.511 ' HG2' ' O ' ' A' ' 54' ' ' VAL . 5.6 mm-40 -85.4 -12.64 51.56 Favored 'General case' 0 N--CA 1.485 1.293 0 N-CA-C 109.731 -0.47 . . . . 51.11 109.731 169.094 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 74.3 m-70 62.85 29.78 16.61 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.46 1.504 . . . . 73.13 112.39 -179.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -80.38 87.61 5.62 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 107.991 -1.114 . . . . 74.12 107.991 169.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 33.4 m -61.62 -31.12 71.19 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 124.47 1.108 . . . . 71.25 112.373 -174.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -64.27 -52.88 56.46 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.239 1.015 . . . . 71.44 111.106 178.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -69.24 -30.55 71.65 Favored Glycine 0 C--N 1.345 1.062 0 CA-C-N 115.535 -0.757 . . . . 54.13 112.882 178.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 59.9 tp -66.37 -40.74 89.93 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.1 0.56 . . . . 64.03 109.948 176.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -61.59 -45.85 92.38 Favored 'General case' 0 N--CA 1.477 0.906 0 O-C-N 123.83 0.706 . . . . 74.21 110.012 175.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 61.2 ttm-85 -67.88 -40.91 83.49 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 124.745 1.278 . . . . 71.42 111.548 -174.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.431 ' O ' ' HB2' ' A' ' 71' ' ' LEU . . . -75.12 -34.42 61.69 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.57 0.748 . . . . 73.22 110.854 179.463 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.51 -40.32 89.13 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.241 0.616 . . . . 71.35 111.141 174.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.545 ' O ' ' HG2' ' A' ' 73' ' ' GLU . 22.4 tptm -68.24 -50.92 50.72 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-N 114.627 -1.17 . . . . 74.11 109.72 -179.618 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 50.6 m -64.69 -29.49 70.49 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 122.697 0.399 . . . . 65.34 111.066 -178.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.616 HD13 ' HA ' ' A' ' 91' ' ' ALA . 0.6 OUTLIER -61.12 -53.41 57.38 Favored 'General case' 0 C--N 1.354 0.801 0 C-N-CA 123.314 0.646 . . . . 71.02 109.345 176.601 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.64 -29.56 65.96 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 122.748 0.419 . . . . 70.04 111.929 -178.076 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.545 ' HG2' ' O ' ' A' ' 69' ' ' LYS . 10.2 mm-40 -66.04 -34.84 79.0 Favored 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 109.625 -0.509 . . . . 74.03 109.625 172.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.561 ' O ' HG13 ' A' ' 78' ' ' ILE . . . -70.73 -36.24 73.09 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.228 0.611 . . . . 43.04 110.948 176.419 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.486 HG12 ' O ' ' A' ' 71' ' ' LEU . 44.1 mm -64.55 -44.71 96.84 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 C-N-CA 123.293 0.637 . . . . 74.24 111.43 -177.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 30.8 p -68.16 -13.27 62.1 Favored 'General case' 0 CA--C 1.551 0.982 0 CA-C-N 115.668 -0.696 . . . . 73.44 111.289 176.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -97.09 -17.57 19.88 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 123.995 0.918 . . . . 75.33 111.484 173.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.561 HG13 ' O ' ' A' ' 74' ' ' ALA . 43.5 mt . . . . . 0 N--CA 1.485 1.287 0 N-CA-C 108.777 -0.823 . . . . 54.41 108.777 173.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 . . . . . 0 N--CA 1.482 1.126 0 CA-C-O 120.854 0.359 . . . . 72.15 111.343 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.96 -24.25 65.94 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.649 1.18 . . . . 75.41 112.492 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -58.64 -32.99 69.56 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 123.498 0.719 . . . . 72.35 112.345 177.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -60.78 -32.34 71.67 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.489 0.716 . . . . 62.32 110.681 177.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.441 ' HB3' ' CG ' ' A' ' 49' ' ' PHE . 31.0 mtm -74.14 -38.02 63.88 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 114.917 -1.038 . . . . 75.34 111.113 178.315 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.616 ' HA ' HD13 ' A' ' 71' ' ' LEU . . . -58.15 -43.0 87.14 Favored 'General case' 0 C--N 1.352 0.687 0 O-C-N 123.767 0.667 . . . . 64.23 109.711 173.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.452 ' O ' ' HG2' ' A' ' 96' ' ' GLU . 52.6 mtpt -62.05 -42.29 99.03 Favored 'General case' 0 C--N 1.351 0.635 0 O-C-N 124.481 1.113 . . . . 71.51 111.521 178.095 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 25.7 mmtp -56.38 -50.75 70.67 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.521 0.728 . . . . 74.12 110.699 177.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.7 -33.1 72.35 Favored 'General case' 0 CA--C 1.552 1.048 0 CA-C-N 115.027 -0.988 . . . . 52.44 111.858 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.488 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 45.8 mt-10 -68.24 -45.84 72.11 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.269 1.027 . . . . 71.33 110.71 174.525 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 19.4 mm-40 -61.09 -38.88 87.83 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.676 0.79 . . . . 75.13 110.774 -178.404 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 49.3 m0 -66.24 -41.71 89.64 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 114.982 -1.008 . . . . 73.2 110.234 177.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 51.2 tp -64.85 -37.39 87.45 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 123.657 0.598 . . . . 61.44 110.608 178.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.488 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 81.7 mm-40 -71.56 -25.68 62.31 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.199 0.599 . . . . 63.45 111.149 178.313 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -77.71 -41.65 37.15 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.512 0.725 . . . . 73.41 110.986 176.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 . . . . . 0 N--CA 1.476 0.832 0 C-N-CA 123.352 0.661 . . . . 63.42 110.798 179.387 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 23.6 mtm . . . . . 0 N--CA 1.473 0.696 0 CA-C-O 120.875 0.369 . . . . 71.04 110.48 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.65 -55.82 4.43 Favored Glycine 0 C--N 1.347 1.162 0 N-CA-C 109.805 -1.318 . . . . 70.12 109.805 -170.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -58.1 -35.32 71.26 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.463 1.105 . . . . 75.03 111.114 175.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.83 -46.06 81.94 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 123.158 0.583 . . . . 50.22 111.163 174.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.495 HD23 HD12 ' A' ' 31' ' ' ILE . 28.2 mt -66.11 -35.41 80.44 Favored 'General case' 0 N--CA 1.484 1.227 0 O-C-N 123.133 0.27 . . . . 73.44 111.237 176.607 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -58.64 -44.5 90.1 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.251 0.621 . . . . 74.22 110.946 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 66.5 m-80 -68.24 -34.8 76.88 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 122.781 0.433 . . . . 75.32 111.468 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.495 HD12 HD23 ' A' ' 28' ' ' LEU . 85.4 mt -62.32 -40.71 88.87 Favored 'Isoleucine or valine' 0 C--N 1.352 0.695 0 N-CA-C 109.532 -0.544 . . . . 72.01 109.532 174.024 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.8 -37.51 94.79 Favored Glycine 0 C--N 1.344 1.016 0 CA-C-N 115.214 -0.903 . . . . 43.11 112.331 176.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.5 mt -63.37 -40.7 97.98 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.393 0.677 . . . . 52.33 110.411 178.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -67.79 -44.25 77.8 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 123.98 0.8 . . . . 73.21 111.403 179.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.0 mptp? -59.35 -48.94 79.73 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.484 0.714 . . . . 71.5 109.767 175.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -60.79 -36.02 77.93 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.051 0.94 . . . . 62.4 110.656 -178.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.2 tptt -67.5 -39.38 85.16 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.842 0.857 . . . . 73.43 110.851 178.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 53.5 mtm -77.54 -7.69 56.67 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.011 0.525 . . . . 74.02 111.495 178.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 92.47 1.32 68.92 Favored Glycine 0 C--N 1.346 1.087 0 N-CA-C 112.082 -0.407 . . . . 54.33 112.082 -178.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -79.04 68.28 4.95 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 108.878 -0.786 . . . . 74.43 108.878 173.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.457 ' HB1' ' O ' ' A' ' 74' ' ' ALA . . . -78.26 -25.86 46.98 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.039 0.936 . . . . 61.21 111.604 -173.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -65.93 -49.39 68.14 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.403 1.081 . . . . 63.34 109.36 172.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -64.39 -41.3 96.73 Favored 'General case' 0 N--CA 1.478 0.933 0 O-C-N 123.839 0.712 . . . . 73.11 110.915 175.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.52 -46.02 87.64 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.944 0.898 . . . . 75.35 110.843 -178.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.62 -33.71 66.54 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 124.649 1.218 . . . . 60.5 111.889 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.432 ' HB3' ' NH1' ' A' ' 50' ' ' ARG . 42.3 mt-10 -65.78 -51.74 56.57 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.519 0.728 . . . . 55.31 110.676 177.266 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.485 ' HD1' HD22 ' A' ' 28' ' ' LEU . 79.5 m-85 -68.86 -33.41 73.75 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 115.613 -0.721 . . . . 61.24 111.921 -175.332 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.416 ' HB2' ' HG ' ' A' ' 71' ' ' LEU . 19.8 m-85 -68.02 -35.35 78.13 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 123.736 0.647 . . . . 73.44 110.434 176.234 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -70.82 -50.77 31.97 Favored 'General case' 0 C--N 1.347 0.468 0 CA-C-N 115.91 -0.586 . . . . 64.54 111.206 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.432 ' NH1' ' HB3' ' A' ' 46' ' ' GLU . 67.9 mtt180 -68.7 -29.84 68.36 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.501 -0.772 . . . . 65.24 110.589 -176.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.24 -51.23 67.05 Favored 'General case' 0 C--N 1.348 0.512 0 O-C-N 124.075 0.859 . . . . 70.44 109.427 168.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.6 -31.31 69.36 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.1 0.96 . . . . 73.53 112.011 -177.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.521 ' O ' ' HD3' ' A' ' 57' ' ' LYS . 93.6 mt -60.71 -53.75 44.65 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 C-N-CA 123.677 0.791 . . . . 73.43 109.64 174.455 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 46.4 t -63.56 -39.93 87.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 123.05 0.54 . . . . 72.11 110.749 -176.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -61.7 -43.34 99.04 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.202 0.601 . . . . 74.23 110.988 176.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -63.78 -45.97 87.31 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.871 0.869 . . . . 74.43 111.218 -179.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.521 ' HD3' ' O ' ' A' ' 53' ' ' ILE . 5.5 mptp? -55.51 -43.09 75.37 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.833 0.853 . . . . 71.5 111.671 173.253 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -80.86 -11.46 59.58 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 122.962 0.505 . . . . 64.44 111.709 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 64.54 28.46 13.36 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.139 1.376 . . . . 75.15 111.82 -177.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -80.98 83.73 6.62 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 108.198 -1.038 . . . . 72.22 108.198 173.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 10.8 p -56.21 -33.07 64.99 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.186 0.994 . . . . 62.52 113.293 174.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.427 ' O ' ' HG3' ' A' ' 66' ' ' ARG . 27.1 t70 -66.96 -50.78 61.24 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.116 0.566 . . . . 74.44 110.566 -177.318 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -67.37 -41.17 91.41 Favored Glycine 0 C--N 1.349 1.261 0 O-C-N 123.639 0.587 . . . . 72.31 112.22 176.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 44.1 tp -58.11 -37.26 74.22 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.586 1.154 . . . . 55.45 110.723 176.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -64.88 -50.78 65.21 Favored 'General case' 0 C--N 1.347 0.471 0 C-N-CA 124.274 1.03 . . . . 75.43 109.807 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.427 ' HG3' ' O ' ' A' ' 62' ' ' ASP . 81.6 mtt-85 -57.51 -45.97 84.35 Favored 'General case' 0 N--CA 1.475 0.775 0 O-C-N 124.335 1.022 . . . . 74.42 110.575 178.475 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.457 ' O ' ' HB2' ' A' ' 71' ' ' LEU . . . -67.67 -38.6 83.98 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.025 0.93 . . . . 70.14 111.522 -177.108 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.91 -43.2 68.78 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.582 0.753 . . . . 73.45 111.371 -178.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.548 ' HA ' ' HE2' ' A' ' 69' ' ' LYS . 10.7 mmpt? -65.51 -51.49 59.63 Favored 'General case' 0 C--N 1.347 0.461 0 CA-C-N 115.735 -0.666 . . . . 62.33 110.399 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 27.0 m -64.41 -29.81 70.86 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.953 0.901 . . . . 72.45 111.604 -178.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.523 HD13 ' HA ' ' A' ' 91' ' ' ALA . 1.0 OUTLIER -60.11 -48.41 81.85 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.413 0.685 . . . . 64.24 109.371 176.629 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -70.39 -34.18 72.27 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-N 115.422 -0.808 . . . . 73.52 111.614 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -70.21 -21.09 63.05 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.463 0.705 . . . . 73.04 110.458 176.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.457 ' O ' ' HB1' ' A' ' 41' ' ' ALA . . . -80.92 -35.51 32.28 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.299 0.639 . . . . 74.24 110.455 171.316 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.715 HG21 ' HD3' ' A' ' 88' ' ' LYS . 40.4 mm -60.71 -45.82 96.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 CA-C-O 120.941 0.401 . . . . 74.32 111.247 -178.486 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 14.8 t -66.71 -15.55 63.6 Favored 'General case' 0 CA--C 1.555 1.139 0 CA-C-N 115.553 -0.748 . . . . 65.41 111.566 -179.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -106.48 -3.37 20.99 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 123.938 0.895 . . . . 55.54 112.7 -178.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 86.1 mt . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 118.971 -0.538 . . . . 73.44 109.55 176.823 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 . . . . . 0 N--CA 1.481 1.096 0 CA-C-O 120.963 0.411 . . . . 55.12 111.547 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.591 ' HA ' ' HE2' ' A' ' 90' ' ' MET . . . -76.94 -26.13 53.68 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 115.814 -0.63 . . . . 73.02 111.802 179.518 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.715 ' HD3' HG21 ' A' ' 75' ' ' ILE . 28.6 tptp -65.56 -36.12 82.84 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.294 1.037 . . . . 62.11 111.105 -176.073 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -63.86 -37.71 88.4 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 122.877 0.471 . . . . 72.44 110.354 176.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.591 ' HE2' ' HA ' ' A' ' 87' ' ' ALA . 37.4 mtm -68.44 -38.56 81.27 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 115.345 -0.843 . . . . 73.31 110.499 177.038 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.523 ' HA ' HD13 ' A' ' 71' ' ' LEU . . . -62.12 -40.35 95.61 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.319 0.648 . . . . 72.25 110.226 176.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.514 ' O ' ' HG2' ' A' ' 96' ' ' GLU . 57.2 tttm -72.2 -33.42 67.62 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 123.921 0.763 . . . . 72.0 110.667 -178.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 59.1 mmtt -59.4 -47.63 84.71 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 122.804 0.442 . . . . 75.12 110.381 174.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.33 -32.96 73.8 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 115.281 -0.872 . . . . 75.02 111.487 177.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' A' ' 91' ' ' ALA . 45.0 mt-10 -67.75 -42.63 81.51 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.37 0.668 . . . . 75.21 111.145 174.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.514 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 49.3 mm-40 -60.79 -46.77 89.19 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 123.812 0.695 . . . . 64.15 110.061 -178.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 44.4 m0 -63.18 -42.95 99.46 Favored 'General case' 0 C--N 1.345 0.406 0 O-C-N 124.507 1.13 . . . . 64.12 111.092 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 26.5 tp -62.93 -50.1 72.15 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 123.914 0.759 . . . . 74.34 111.167 -176.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -69.82 -32.48 70.93 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.211 0.604 . . . . 74.41 110.893 -178.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.75 -47.05 70.34 Favored 'General case' 0 C--O 1.244 0.815 0 C-N-CA 123.244 0.618 . . . . 70.41 111.419 -178.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 . . . . . 0 CA--C 1.541 0.614 0 O-C-N 123.315 0.384 . . . . 73.14 111.064 -177.29 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 27.6 mtm . . . . . 0 N--CA 1.47 0.569 0 N-CA-C 109.406 -0.59 . . . . 72.33 109.406 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.87 -59.98 4.9 Favored Glycine 0 C--N 1.346 1.13 0 N-CA-C 111.152 -0.779 . . . . 70.45 111.152 -174.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 60.2 ttt180 -53.74 -36.83 62.74 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.6 1.16 . . . . 61.51 111.09 170.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.74 -52.7 64.36 Favored 'General case' 0 CA--C 1.548 0.869 0 O-C-N 123.796 0.685 . . . . 72.2 111.17 178.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.598 HD23 HD12 ' A' ' 31' ' ' ILE . 24.3 mt -67.01 -32.39 73.58 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 122.457 0.303 . . . . 62.51 111.577 177.028 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -62.46 -43.27 99.23 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.139 0.576 . . . . 74.32 109.87 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.504 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 15.2 m120 -67.13 -35.33 79.5 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 115.521 -0.763 . . . . 73.55 110.903 178.49 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.598 HD12 HD23 ' A' ' 28' ' ' LEU . 94.5 mt -64.14 -39.81 86.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 C-N-CA 123.527 0.731 . . . . 65.42 109.575 175.433 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.42 -39.65 97.97 Favored Glycine 0 C--N 1.348 1.239 0 CA-C-N 115.067 -0.97 . . . . 73.43 112.512 176.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.448 HD12 HD22 ' A' ' 30' ' ' ASN . 98.3 mt -63.09 -43.43 98.52 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.498 0.719 . . . . 53.31 110.449 176.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.504 ' HG2' ' O ' ' A' ' 30' ' ' ASN . 9.4 mm-40 -61.13 -42.91 99.4 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.663 0.785 . . . . 61.3 111.044 178.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.466 ' HG2' ' HE2' ' A' ' 47' ' ' TYR . 3.0 mptp? -66.31 -45.18 81.25 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.057 0.943 . . . . 61.2 110.708 178.301 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -61.27 -38.36 86.47 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.695 0.798 . . . . 75.2 110.36 -178.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -62.65 -42.13 99.43 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.494 1.117 . . . . 75.12 109.625 177.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 67.1 mtm -85.06 12.67 7.26 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 123.631 0.772 . . . . 71.3 112.164 -178.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.2 -8.44 60.9 Favored Glycine 0 C--N 1.353 1.503 0 CA-C-O 119.979 -0.345 . . . . 65.44 113.877 176.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 39.1 mttm -77.83 69.0 4.0 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.375 1.07 . . . . 74.41 109.429 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.467 ' HA ' ' HB3' ' A' ' 44' ' ' ALA . . . -82.05 -17.67 45.89 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.497 0.719 . . . . 73.51 112.258 -172.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -64.94 -53.85 39.96 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 108.913 -0.773 . . . . 64.43 108.913 169.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -63.45 -38.86 92.77 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 114.894 -1.048 . . . . 75.32 110.453 177.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.467 ' HB3' ' HA ' ' A' ' 41' ' ' ALA . . . -57.06 -55.54 33.34 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.225 0.61 . . . . 70.11 110.797 -178.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.2 -32.81 71.44 Favored 'General case' 0 C--N 1.35 0.627 0 O-C-N 124.318 1.011 . . . . 72.11 111.401 179.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 7.5 tm-20 -62.36 -50.02 73.24 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.366 1.066 . . . . 71.31 110.11 179.224 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.466 ' HE2' ' HG2' ' A' ' 35' ' ' LYS . 61.1 m-85 -72.08 -32.95 67.51 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 122.845 0.458 . . . . 73.11 111.685 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -64.41 -31.68 72.99 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 123.769 0.668 . . . . 72.54 110.275 176.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.4 ' O ' HG13 ' A' ' 53' ' ' ILE . 28.1 t80 -69.99 -50.56 40.41 Favored 'General case' 0 C--N 1.345 0.376 0 O-C-N 124.162 0.913 . . . . 75.21 110.734 178.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' A' ' 46' ' ' GLU . 77.1 mtp180 -60.15 -40.96 91.66 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.888 0.875 . . . . 53.33 110.148 179.262 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.93 -42.86 94.32 Favored 'General case' 0 C--N 1.345 0.407 0 CA-C-N 114.552 -1.204 . . . . 62.03 110.77 177.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.96 -38.03 89.44 Favored 'General case' 0 N--CA 1.482 1.166 0 O-C-N 123.986 0.804 . . . . 50.53 111.051 -177.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 49' ' ' PHE . 87.6 mt -57.67 -41.71 79.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 123.982 0.913 . . . . 71.11 110.607 173.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.4 t -71.65 -43.8 70.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 123.204 0.602 . . . . 75.2 111.046 -177.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -65.75 -27.77 68.55 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-O 120.988 0.423 . . . . 74.4 111.075 177.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -74.04 -48.12 32.19 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.568 1.147 . . . . 75.23 111.719 177.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -68.41 -26.45 65.55 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 122.865 0.466 . . . . 70.23 111.686 178.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -85.28 -11.89 53.72 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.36 0.664 . . . . 72.31 111.145 173.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 63.73 21.74 12.8 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.099 1.359 . . . . 65.41 111.831 177.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -81.86 92.63 6.73 Favored 'General case' 0 C--O 1.238 0.476 0 N-CA-C 108.27 -1.011 . . . . 71.22 108.27 178.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 12.4 p -59.56 -36.19 75.71 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.996 0.918 . . . . 74.14 112.764 -175.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -60.65 -49.65 76.67 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 123.596 0.56 . . . . 72.11 110.685 -179.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -72.14 -32.67 62.78 Favored Glycine 0 C--N 1.343 0.932 0 O-C-N 124.303 1.002 . . . . 70.21 112.729 -179.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 63.6 tp -71.36 -37.08 71.66 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.694 0.798 . . . . 71.43 110.507 179.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 28.8 ttm-85 -71.95 -34.96 69.41 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.468 1.107 . . . . 75.23 109.829 176.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 30.0 ttm-85 -71.22 -40.48 71.09 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.161 1.384 . . . . 72.1 110.474 179.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.447 ' O ' ' HB2' ' A' ' 71' ' ' LEU . . . -75.59 -36.56 60.31 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 115.21 -0.905 . . . . 53.54 110.794 178.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.48 -45.43 87.38 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 123.923 0.765 . . . . 74.15 110.117 176.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.565 ' HA ' ' HE3' ' A' ' 72' ' ' LYS . 37.8 ttmt -55.54 -51.7 66.2 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 124.862 1.352 . . . . 74.0 110.872 178.436 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 37.1 m -73.61 -31.66 63.68 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 115.261 -0.881 . . . . 60.44 111.635 -176.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.447 ' HB2' ' O ' ' A' ' 67' ' ' ALA . 1.6 tt -64.53 -54.71 28.04 Favored 'General case' 0 N--CA 1.485 1.284 0 N-CA-C 108.962 -0.755 . . . . 74.31 108.962 -179.546 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.565 ' HE3' ' HA ' ' A' ' 69' ' ' LYS . 21.8 pttp -69.83 -34.41 73.62 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 115.43 -0.804 . . . . 74.4 111.888 -173.337 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.404 ' HG3' ' HG3' ' A' ' 72' ' ' LYS . 48.9 mt-10 -89.61 3.26 53.14 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.412 0.685 . . . . 63.35 111.28 178.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.465 ' O ' HG13 ' A' ' 78' ' ' ILE . . . -78.85 -27.86 44.19 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 109.709 -0.478 . . . . 65.44 109.709 165.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.48 HG21 ' HG2' ' A' ' 88' ' ' LYS . 2.0 mp -62.76 -39.74 85.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 C-N-CA 123.544 0.738 . . . . 73.23 111.004 178.041 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 38.0 p -67.24 -14.66 63.12 Favored 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 122.783 0.433 . . . . 73.0 111.639 177.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -100.16 -13.76 18.81 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 124.197 0.999 . . . . 34.44 111.935 176.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.465 HG13 ' O ' ' A' ' 74' ' ' ALA . 68.8 mt . . . . . 0 N--CA 1.492 1.627 0 C-N-CA 123.542 0.737 . . . . 75.42 110.917 -178.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 . . . . . 0 CA--C 1.547 0.844 0 CA-C-O 121.444 0.64 . . . . 73.31 111.028 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -76.71 -25.98 54.19 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.258 -0.883 . . . . 63.33 112.266 179.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.48 ' HG2' HG21 ' A' ' 75' ' ' ILE . 4.8 tmtt? -63.29 -37.37 86.98 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.65 0.78 . . . . 63.25 110.597 -178.293 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -67.76 -32.72 73.51 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 115.015 -0.993 . . . . 72.5 111.275 179.253 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 45.0 mtm -69.62 -35.09 74.94 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.014 0.525 . . . . 64.05 110.559 176.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.68 -38.72 82.29 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 115.249 -0.887 . . . . 72.03 111.063 176.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.424 ' O ' ' HG2' ' A' ' 96' ' ' GLU . 90.5 mttt -56.58 -46.39 80.83 Favored 'General case' 0 C--N 1.359 1.014 0 O-C-N 124.186 0.929 . . . . 74.02 110.682 177.088 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 63.1 mmtt -56.37 -51.21 69.16 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 124.395 1.059 . . . . 64.2 111.311 -178.039 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.59 -36.07 79.63 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 123.898 0.749 . . . . 63.23 112.603 -176.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -73.13 -36.86 66.79 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.677 0.791 . . . . 72.33 110.669 177.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 60.2 mm-40 -69.32 -33.87 73.81 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.28 0.632 . . . . 72.42 111.024 178.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 37.9 m0 -71.22 -38.42 72.01 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 123.206 0.602 . . . . 63.04 110.439 176.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 44.8 tp -64.26 -39.96 95.01 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.28 0.632 . . . . 61.12 110.833 177.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -64.95 -44.73 88.48 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.16 0.584 . . . . 74.54 110.525 173.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.13 -34.41 77.54 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.744 0.818 . . . . 61.22 111.779 -177.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 . . . . . 0 CA--C 1.543 0.708 0 C-N-CA 123.173 0.589 . . . . 70.11 111.901 -177.656 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 3.5 mpp? . . . . . 0 CA--C 1.545 0.778 0 N-CA-C 110.251 -0.277 . . . . 63.44 110.251 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.39 -43.58 2.92 Favored Glycine 0 N--CA 1.481 1.684 0 N-CA-C 111.241 -0.744 . . . . 64.31 111.241 -172.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.2 ttm-85 -56.73 -39.01 73.16 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.255 1.422 . . . . 61.24 110.204 170.192 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.404 ' O ' HG13 ' A' ' 31' ' ' ILE . . . -64.72 -44.29 90.68 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 114.916 -1.038 . . . . 72.44 110.782 174.453 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.514 ' HA ' HD12 ' A' ' 31' ' ' ILE . 37.8 mt -57.45 -41.05 79.77 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.566 0.746 . . . . 72.24 111.142 176.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.448 ' OH ' ' HD2' ' A' ' 66' ' ' ARG . 44.4 t80 -61.95 -42.18 98.83 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-N 115.725 -0.67 . . . . 70.11 110.873 -179.042 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -63.95 -40.04 95.52 Favored 'General case' 0 N--CA 1.482 1.145 0 O-C-N 123.64 0.588 . . . . 75.05 110.972 177.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.514 HD12 ' HA ' ' A' ' 28' ' ' LEU . 89.0 mt -59.28 -43.21 89.4 Favored 'Isoleucine or valine' 0 C--N 1.355 0.845 0 C-N-CA 123.756 0.823 . . . . 71.5 109.698 176.651 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -61.88 -46.13 94.77 Favored Glycine 0 C--N 1.347 1.156 0 CA-C-N 115.168 -0.924 . . . . 71.12 113.09 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.4 mt -58.37 -38.28 76.94 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.285 0.634 . . . . 74.44 110.472 177.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -73.11 -33.01 65.3 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 124.156 0.982 . . . . 74.33 112.356 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.403 ' HE3' ' HE2' ' A' ' 47' ' ' TYR . 71.5 mmtt -69.33 -45.73 68.76 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.104 0.562 . . . . 74.41 110.102 176.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -61.63 -35.32 77.57 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.48 1.112 . . . . 63.1 109.709 177.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.4 tmmm? -62.64 -36.87 84.23 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.86 1.264 . . . . 63.13 111.634 179.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 57.4 mtm -81.71 -18.8 43.11 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 123.027 0.531 . . . . 72.32 111.766 178.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 116.94 -25.94 8.62 Favored Glycine 0 C--N 1.343 0.924 0 CA-C-O 119.702 -0.499 . . . . 72.31 112.295 -178.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -76.33 74.12 3.11 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-O 122.113 0.959 . . . . 74.55 110.565 179.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.416 ' HA ' ' HB3' ' A' ' 44' ' ' ALA . . . -82.66 -6.39 59.35 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 114.468 -1.242 . . . . 51.54 111.688 -174.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 -72.88 -47.67 44.01 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.019 0.527 . . . . 63.33 110.494 173.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -60.12 -44.62 94.76 Favored 'General case' 0 C--N 1.355 0.837 0 O-C-N 123.742 0.651 . . . . 60.03 109.379 172.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.416 ' HB3' ' HA ' ' A' ' 41' ' ' ALA . . . -53.54 -47.64 69.81 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 124.33 1.019 . . . . 74.22 111.799 178.129 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.71 -38.08 77.53 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 124.623 1.202 . . . . 74.44 111.251 -178.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -64.65 -50.46 67.01 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 123.813 0.696 . . . . 72.44 110.667 175.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.418 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 62.6 m-85 -63.61 -32.01 73.36 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 122.84 0.456 . . . . 73.23 112.043 -177.006 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.438 ' HE2' ' HB2' ' A' ' 74' ' ' ALA . 21.4 m-85 -69.66 -42.54 74.08 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 123.57 0.544 . . . . 75.34 110.157 175.034 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -66.91 -46.99 73.15 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 115.487 -0.779 . . . . 64.33 111.524 -177.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.436 ' O ' HG23 ' A' ' 54' ' ' VAL . 60.4 mtp85 -72.9 -31.95 65.02 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.751 0.821 . . . . 73.51 110.208 -176.17 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.71 -47.0 85.49 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 109.18 -0.674 . . . . 75.13 109.18 170.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.27 -32.96 71.66 Favored 'General case' 0 N--CA 1.48 1.038 0 O-C-N 124.157 0.911 . . . . 55.44 111.658 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.523 HG22 ' HE2' ' A' ' 57' ' ' LYS . 97.6 mt -67.05 -48.92 77.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 123.552 0.741 . . . . 74.31 110.346 175.259 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 50' ' ' ARG . 75.0 t -60.8 -42.33 91.94 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 C-N-CA 122.906 0.482 . . . . 60.05 110.482 179.745 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -67.94 -36.36 79.99 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.311 0.644 . . . . 73.21 111.592 178.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -67.39 -39.92 85.63 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 123.34 0.4 . . . . 61.44 110.929 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.523 ' HE2' HG22 ' A' ' 53' ' ' ILE . 67.7 mttm -54.89 -43.53 73.28 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.823 0.849 . . . . 70.21 111.515 170.2 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -82.04 -8.45 59.66 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 115.818 -0.628 . . . . 71.43 111.143 178.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 60.22 25.18 14.56 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 125.561 1.545 . . . . 73.42 111.616 -179.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -80.04 92.58 5.62 Favored 'General case' 0 C--O 1.245 0.836 0 CA-C-N 114.6 -1.182 . . . . 71.42 108.228 177.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 16.5 p -63.31 -26.98 69.01 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 114.96 -1.018 . . . . 44.32 113.026 -174.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -69.41 -45.43 69.24 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 123.724 0.64 . . . . 74.5 110.636 -177.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -71.02 -39.53 63.24 Favored Glycine 0 C--N 1.343 0.945 0 CA-C-N 115.847 -0.615 . . . . 72.1 112.298 178.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 65.6 tp -59.57 -43.38 93.61 Favored 'General case' 0 CA--C 1.554 1.101 0 C-N-CA 124.323 1.049 . . . . 72.4 110.569 174.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -66.42 -42.95 86.98 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 125.296 1.439 . . . . 73.41 110.871 178.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.448 ' HD2' ' OH ' ' A' ' 29' ' ' TYR . 0.2 OUTLIER -65.0 -42.69 94.25 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.128 0.971 . . . . 73.24 110.174 -178.693 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.403 ' HB1' ' O ' ' A' ' 48' ' ' PHE . . . -71.29 -41.23 70.25 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.153 0.981 . . . . 70.12 111.138 -177.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.43 -39.99 89.24 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.855 0.862 . . . . 52.45 111.296 178.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.9 tmtt? -61.24 -46.31 90.92 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.466 1.106 . . . . 72.42 110.032 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 43.5 m -76.15 -29.25 57.69 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 123.368 0.667 . . . . 71.44 112.35 179.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.506 HD22 ' HB2' ' A' ' 91' ' ' ALA . 1.2 tt -59.51 -52.34 65.97 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 123.763 0.825 . . . . 74.22 110.001 -176.101 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.468 ' HA ' HD12 ' A' ' 75' ' ' ILE . 14.4 ptmm? -61.87 -36.94 82.73 Favored 'General case' 0 CA--C 1.552 1.02 0 CA-C-N 115.242 -0.89 . . . . 74.23 111.827 -177.541 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -77.16 -23.72 51.59 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.775 0.83 . . . . 74.34 111.119 -178.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.438 ' HB2' ' HE2' ' A' ' 48' ' ' PHE . . . -69.15 -38.84 78.99 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.81 -0.632 . . . . 73.01 110.428 172.621 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.742 HD13 ' HA ' ' A' ' 88' ' ' LYS . 58.0 mt -65.32 -41.8 92.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 123.697 0.799 . . . . 52.45 111.745 -175.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 6.2 p -70.66 -14.76 62.59 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 115.813 -0.631 . . . . 72.42 111.696 175.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -99.69 -10.71 21.61 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 123.825 0.85 . . . . 60.35 112.304 176.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 74' ' ' ALA . 65.5 mt . . . . . 0 N--CA 1.492 1.656 0 C-N-CA 122.933 0.493 . . . . 62.22 111.228 -178.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 87' ' ' ALA . 8.4 pt-20 . . . . . 0 N--CA 1.489 1.488 0 CA-C-O 121.314 0.578 . . . . 74.32 111.092 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.419 ' N ' ' HG3' ' A' ' 86' ' ' GLU . . . -78.82 -27.14 44.28 Favored 'General case' 0 C--O 1.242 0.677 0 C-N-CA 124.283 1.033 . . . . 60.54 111.866 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.742 ' HA ' HD13 ' A' ' 75' ' ' ILE . 13.2 tmtt? -62.67 -47.59 83.02 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 123.62 0.768 . . . . 75.14 109.886 -179.087 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -57.51 -28.76 63.74 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 124.0 0.92 . . . . 74.25 112.252 -177.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 37.8 mtm -71.34 -35.28 71.11 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.573 0.749 . . . . 62.2 111.872 -178.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.506 ' HB2' HD22 ' A' ' 71' ' ' LEU . . . -63.67 -28.43 69.9 Favored 'General case' 0 N--CA 1.482 1.136 0 CA-C-O 119.549 -0.262 . . . . 51.3 111.477 178.55 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.498 ' O ' ' HG2' ' A' ' 96' ' ' GLU . 86.6 tttt -57.64 -48.8 78.46 Favored 'General case' 0 C--N 1.357 0.907 0 O-C-N 124.235 0.96 . . . . 74.31 109.154 173.511 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -61.74 -49.72 75.26 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 124.222 0.951 . . . . 62.31 111.29 -177.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.77 -32.53 70.68 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.2 0.6 . . . . 60.22 111.279 178.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.72 -40.19 56.03 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 123.56 0.744 . . . . 71.53 110.127 178.309 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.498 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 13.3 mm-40 -67.08 -35.81 80.64 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.498 0.719 . . . . 74.14 110.607 -179.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 40.8 m0 -67.5 -38.88 84.97 Favored 'General case' 0 C--N 1.347 0.473 0 CA-C-N 115.83 -0.623 . . . . 72.32 109.763 177.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 29.0 tp -63.68 -42.27 98.04 Favored 'General case' 0 CA--C 1.548 0.87 0 O-C-N 123.67 0.607 . . . . 53.34 110.332 176.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -64.89 -37.75 88.68 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.406 0.683 . . . . 73.32 111.502 176.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.84 -45.71 64.02 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.541 0.736 . . . . 62.33 110.804 -177.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 . . . . . 0 N--CA 1.471 0.623 0 CA-C-N 115.131 -0.94 . . . . 64.51 110.905 -179.962 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 18.8 ptp . . . . . 0 CA--C 1.55 0.947 0 N-CA-C 112.141 0.423 . . . . 74.22 112.141 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.59 -46.24 2.55 Favored Glycine 0 C--N 1.364 2.123 0 C-N-CA 122.753 0.215 . . . . 65.21 112.816 179.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 70.4 mtt180 -60.19 -25.93 65.96 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.643 1.177 . . . . 71.15 111.917 -177.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.43 ' O ' HG13 ' A' ' 31' ' ' ILE . . . -68.03 -36.35 79.78 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 122.777 0.431 . . . . 74.11 111.777 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.454 ' O ' ' HB3' ' A' ' 47' ' ' TYR . 41.7 mt -61.04 -45.37 95.04 Favored 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 109.943 -0.392 . . . . 72.12 109.943 173.028 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -53.59 -38.02 63.52 Favored 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 124.109 0.963 . . . . 71.13 110.863 178.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -65.19 -41.86 94.17 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.609 0.763 . . . . 72.0 111.273 176.571 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 27' ' ' ALA . 22.3 mt -64.99 -33.48 64.0 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 C-N-CA 123.466 0.707 . . . . 71.22 109.835 178.504 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.417 ' HA2' ' HA ' ' A' ' 44' ' ' ALA . . . -61.95 -47.24 91.35 Favored Glycine 0 C--N 1.353 1.495 0 CA-C-N 115.113 -0.949 . . . . 63.15 111.998 175.259 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.0 mt -58.87 -36.72 75.09 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.721 0.808 . . . . 52.03 111.371 176.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -69.93 -44.91 68.62 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.612 0.765 . . . . 75.42 112.014 -178.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.491 ' HD2' ' HE2' ' A' ' 47' ' ' TYR . 48.2 mttp -72.57 -27.68 62.34 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 122.544 0.338 . . . . 70.42 111.809 179.513 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -66.09 -28.42 68.81 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.443 0.697 . . . . 73.33 111.037 178.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -64.49 -33.17 75.26 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.84 0.856 . . . . 75.53 111.113 176.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 70.0 mtm -82.09 1.9 33.79 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.608 0.763 . . . . 55.1 111.469 177.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.94 4.27 90.33 Favored Glycine 0 C--N 1.349 1.275 0 C-N-CA 123.062 0.363 . . . . 62.42 112.706 -177.023 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -84.94 73.57 10.65 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-O 121.58 0.705 . . . . 61.34 109.124 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.21 -23.24 57.58 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 114.508 -1.224 . . . . 75.41 111.448 -177.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -72.18 -50.14 29.98 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 108.868 -0.79 . . . . 75.25 108.868 176.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.3 mp0 -64.01 -34.17 77.4 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 114.321 -1.309 . . . . 65.05 109.535 178.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.417 ' HA ' ' HA2' ' A' ' 32' ' ' GLY . . . -65.37 -43.48 90.6 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.963 0.905 . . . . 61.53 110.865 172.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.31 -30.29 71.34 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.137 0.975 . . . . 70.21 111.409 -178.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -56.97 -47.89 79.68 Favored 'General case' 0 C--N 1.353 0.723 0 O-C-N 123.954 0.784 . . . . 74.34 110.412 173.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.491 ' HE2' ' HD2' ' A' ' 35' ' ' LYS . 65.9 m-85 -74.09 -32.87 63.43 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.574 -0.739 . . . . 73.22 112.285 -176.664 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -69.77 -32.39 70.87 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 123.562 0.539 . . . . 74.25 110.623 175.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -75.59 -49.98 16.94 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.719 0.808 . . . . 75.21 111.648 178.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.487 ' O ' HG23 ' A' ' 54' ' ' VAL . 80.0 mtt-85 -71.52 -29.23 64.54 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 115.624 -0.716 . . . . 74.25 110.276 -175.065 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.14 -41.81 76.81 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 109.636 -0.505 . . . . 63.25 109.636 168.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.3 -31.67 71.51 Favored 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 123.372 0.669 . . . . 75.24 111.714 178.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 93.1 mt -62.81 -48.83 86.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 123.854 0.861 . . . . 64.15 109.663 172.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 50' ' ' ARG . 52.5 t -60.44 -42.73 92.18 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 C-N-CA 123.299 0.64 . . . . 63.23 110.708 -179.08 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -67.98 -41.69 81.95 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 115.344 -0.844 . . . . 73.21 110.774 179.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -65.89 -47.09 76.01 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.665 0.786 . . . . 71.42 111.749 -178.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -55.1 -37.38 66.76 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.515 0.726 . . . . 63.33 110.997 174.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -87.9 -10.69 49.91 Favored 'General case' 0 CA--C 1.551 0.987 0 CA-C-N 115.781 -0.645 . . . . 72.42 111.473 -178.261 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 70.05 37.43 1.71 Allowed 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 125.354 1.462 . . . . 75.52 113.236 176.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -80.09 103.54 10.04 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.086 0.954 . . . . 52.13 109.044 168.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.411 HG22 ' HB3' ' A' ' 101' ' ' GLU . 2.3 p -62.43 -48.39 79.88 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 122.775 0.43 . . . . 74.04 111.248 173.465 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -69.68 -36.81 76.31 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 123.99 0.806 . . . . 73.31 111.308 -177.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -65.58 -50.78 52.76 Favored Glycine 0 C--N 1.353 1.497 0 O-C-N 123.466 0.479 . . . . 73.21 112.242 176.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 65.2 tp -60.26 -39.98 88.72 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.449 1.1 . . . . 74.43 110.779 177.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.7 ttt180 -62.07 -46.0 91.06 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.576 1.15 . . . . 61.25 110.958 177.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.43 -43.53 80.95 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 115.915 -0.584 . . . . 54.35 110.002 -176.468 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.406 ' O ' ' HB2' ' A' ' 71' ' ' LEU . . . -70.13 -36.32 74.69 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.719 0.808 . . . . 71.5 111.393 -179.278 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -73.27 -38.16 66.02 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.697 0.799 . . . . 64.35 111.202 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.41 ' O ' ' HG2' ' A' ' 73' ' ' GLU . 64.3 tttt -71.54 -40.78 69.83 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 115.754 -0.657 . . . . 73.02 110.073 -178.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 40.6 m -68.55 -30.36 69.13 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.7 0.8 . . . . 70.11 111.16 174.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.493 ' O ' HG12 ' A' ' 75' ' ' ILE . 0.6 OUTLIER -62.09 -43.95 97.72 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 115.384 -0.825 . . . . 71.5 108.818 175.147 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -65.75 -38.74 89.93 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.75 0.82 . . . . 75.45 111.455 178.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' A' ' 69' ' ' LYS . 12.4 mm-40 -62.01 -31.65 72.05 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.114 0.565 . . . . 73.02 110.739 174.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.482 ' O ' HG13 ' A' ' 78' ' ' ILE . . . -72.25 -43.41 64.38 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 115.738 -0.664 . . . . 74.05 110.527 174.203 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.501 ' HA ' HD12 ' A' ' 78' ' ' ILE . 32.8 mm -59.78 -44.19 93.38 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.051 0 C-N-CA 123.398 0.679 . . . . 55.11 111.264 -174.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 22.3 p -67.83 -14.29 62.83 Favored 'General case' 0 CA--C 1.551 1.004 0 CA-C-N 115.656 -0.702 . . . . 73.1 112.152 -179.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -104.83 -12.46 16.27 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.934 0.894 . . . . 71.51 112.093 174.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.501 HD12 ' HA ' ' A' ' 75' ' ' ILE . 92.6 mt . . . . . 0 N--CA 1.484 1.246 0 C-N-CA 123.396 0.678 . . . . 72.31 109.321 173.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 . . . . . 0 CA--C 1.54 0.568 0 N-CA-C 108.505 -0.924 . . . . 71.02 108.505 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.455 ' HA ' ' HE2' ' A' ' 90' ' ' MET . . . -72.85 -28.54 62.59 Favored 'General case' 0 C--N 1.35 0.627 0 C-N-CA 123.738 0.815 . . . . 71.21 112.252 -172.293 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -65.01 -38.99 92.75 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.879 0.872 . . . . 71.31 109.588 178.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.8 mp0 -73.85 -30.65 62.78 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 114.936 -1.029 . . . . 72.13 110.543 176.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.455 ' HE2' ' HA ' ' A' ' 87' ' ' ALA . 32.8 mtm -67.66 -34.81 77.68 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.018 0.527 . . . . 74.33 110.776 173.614 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.488 ' HA ' HD13 ' A' ' 71' ' ' LEU . . . -66.34 -34.67 78.5 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.42 0.688 . . . . 22.34 110.308 174.732 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.545 ' O ' ' HG2' ' A' ' 96' ' ' GLU . 18.7 mmtt -70.3 -37.34 74.76 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-N 114.928 -1.033 . . . . 71.13 110.899 174.677 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.614 ' HA ' ' HE2' ' A' ' 93' ' ' LYS . 8.8 mmpt? -58.27 -52.7 64.47 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 122.773 0.429 . . . . 61.53 110.681 178.361 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.04 -30.06 71.3 Favored 'General case' 0 CA--C 1.546 0.815 0 O-C-N 124.271 0.982 . . . . 61.21 111.806 179.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.438 ' O ' ' HG3' ' A' ' 99' ' ' GLN . 4.4 tm-20 -71.36 -44.09 65.69 Favored 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 123.965 0.906 . . . . 70.04 110.096 178.181 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.545 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 28.5 mm-40 -63.68 -41.01 98.21 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.76 0.824 . . . . 61.02 111.021 177.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 52.1 m0 -61.77 -45.23 94.8 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.054 -0.976 . . . . 65.14 110.313 178.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 34.5 tp -60.61 -32.67 71.8 Favored 'General case' 0 CA--C 1.547 0.843 0 O-C-N 124.176 0.923 . . . . 73.11 111.345 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.438 ' HG3' ' O ' ' A' ' 95' ' ' GLU . 70.3 mt-30 -64.44 -48.96 73.36 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.04 0.536 . . . . 75.42 110.498 176.028 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.05 -29.68 68.71 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 115.836 -0.62 . . . . 75.25 111.656 -178.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.411 ' HB3' HG22 ' A' ' 61' ' ' THR . 36.8 mm-40 . . . . . 0 N--CA 1.478 0.952 0 C-N-CA 123.781 0.833 . . . . 65.05 112.318 178.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 9.5 ptp . . . . . 0 N--CA 1.478 0.929 0 N-CA-C 110.096 -0.335 . . . . 74.42 110.096 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.04 -55.94 3.94 Favored Glycine 0 C--N 1.348 1.247 0 C-N-CA 123.096 0.379 . . . . 60.44 113.321 -177.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 62.5 mtp180 -55.06 -42.14 72.37 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.785 1.234 . . . . 70.52 111.383 178.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.52 -41.27 94.05 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 123.958 0.786 . . . . 74.53 111.063 178.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.406 ' O ' ' HB3' ' A' ' 47' ' ' TYR . 54.1 mt -62.44 -48.35 80.06 Favored 'General case' 0 N--CA 1.484 1.226 0 O-C-N 123.634 0.584 . . . . 62.11 110.559 175.33 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -50.86 -45.08 59.68 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.586 1.154 . . . . 75.33 111.624 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 -65.08 -36.72 85.23 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.178 0.591 . . . . 63.45 111.785 179.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 67.3 mt -65.01 -37.05 79.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 122.861 0.464 . . . . 55.4 109.917 174.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -61.27 -42.11 99.69 Favored Glycine 0 C--N 1.349 1.294 0 CA-C-N 115.257 -0.883 . . . . 55.34 112.223 178.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 88.8 mt -57.94 -47.17 83.69 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.278 0.631 . . . . 35.51 110.134 176.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -57.61 -44.05 85.18 Favored 'General case' 0 CA--C 1.547 0.836 0 O-C-N 124.499 1.124 . . . . 53.21 111.858 177.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 44.6 mmtm -63.88 -46.68 83.83 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.458 0.703 . . . . 75.51 110.869 179.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -62.71 -37.7 87.53 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 124.402 1.064 . . . . 62.44 110.853 -175.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -70.02 -29.9 67.07 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 115.645 -0.707 . . . . 71.1 111.532 177.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 73.0 mtm -79.54 -2.05 40.51 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 122.826 0.451 . . . . 74.34 111.46 174.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.98 -4.89 84.88 Favored Glycine 0 C--N 1.352 1.454 0 C-N-CA 122.897 0.284 . . . . 71.12 112.862 -178.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -90.16 54.9 2.92 Favored 'General case' 0 C--O 1.238 0.495 0 C-N-CA 124.294 1.037 . . . . 74.42 110.103 -177.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.467 ' HA ' ' HB3' ' A' ' 44' ' ' ALA . . . -69.34 -15.83 63.41 Favored 'General case' 0 C--N 1.348 0.535 0 CA-C-N 114.454 -1.248 . . . . 42.24 111.98 -177.178 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.85 -52.02 64.74 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 108.575 -0.898 . . . . 62.4 108.575 175.422 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.435 ' O ' ' HB2' ' A' ' 46' ' ' GLU . 8.2 mp0 -69.63 -34.88 74.67 Favored 'General case' 0 C--O 1.217 -0.653 0 CA-C-N 115.02 -0.991 . . . . 74.02 110.333 176.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.467 ' HB3' ' HA ' ' A' ' 41' ' ' ALA . . . -57.01 -41.88 79.3 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 122.836 0.454 . . . . 64.03 111.03 176.143 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.83 -29.99 71.13 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 124.193 0.933 . . . . 74.21 111.691 179.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.435 ' HB2' ' O ' ' A' ' 43' ' ' GLU . 40.0 mm-40 -60.1 -52.75 64.0 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 123.611 0.569 . . . . 52.43 110.086 171.168 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.406 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 93.6 m-85 -65.77 -36.44 83.56 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.465 0.706 . . . . 63.22 111.821 -175.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -72.78 -32.25 65.46 Favored 'General case' 0 N--CA 1.479 0.976 0 O-C-N 123.664 0.603 . . . . 73.03 110.765 178.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.58 ' HE1' ' HB2' ' A' ' 93' ' ' LYS . 44.9 t80 -71.94 -50.55 28.0 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.002 0.521 . . . . 61.22 110.49 178.035 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 76.8 mtp180 -64.32 -37.07 86.19 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 124.049 0.843 . . . . 75.13 110.537 -178.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.08 -46.59 86.72 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 123.797 0.686 . . . . 75.02 109.656 173.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.8 -34.84 75.13 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 123.838 0.711 . . . . 65.42 111.502 -179.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.416 HG13 ' O ' ' A' ' 49' ' ' PHE . 68.7 mt -60.35 -50.44 80.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 C-N-CA 123.212 0.605 . . . . 63.52 109.598 173.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 72.1 t -61.82 -44.41 98.77 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.165 0 C-N-CA 124.03 0.932 . . . . 51.23 111.598 -177.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -67.4 -30.59 70.4 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.284 0.633 . . . . 72.23 111.211 178.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -69.72 -41.93 74.68 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.663 0.785 . . . . 74.2 111.01 176.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -60.16 -35.97 76.52 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.334 0.654 . . . . 71.34 111.196 172.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -85.09 -11.11 55.97 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 122.909 0.484 . . . . 63.31 112.014 176.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 81.6 m-70 60.78 25.67 15.51 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.307 1.043 . . . . 73.14 112.135 178.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -81.22 101.09 9.48 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.217 1.007 . . . . 72.14 108.355 176.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.432 HG22 ' HB3' ' A' ' 101' ' ' GLU . 18.0 p -59.86 -35.78 75.49 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.348 1.059 . . . . 74.11 112.029 -177.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -69.05 -50.8 45.3 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.428 0.691 . . . . 74.41 110.745 -175.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -70.85 -36.64 65.83 Favored Glycine 0 C--N 1.347 1.164 0 O-C-N 123.769 0.668 . . . . 74.45 113.11 179.105 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 65.6 tp -60.52 -47.28 86.86 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.766 0.826 . . . . 73.54 110.037 176.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 56.3 ttp180 -71.93 -29.03 63.87 Favored 'General case' 0 N--CA 1.476 0.873 0 O-C-N 124.474 1.109 . . . . 73.45 110.91 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -66.37 -49.58 66.4 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.014 0.526 . . . . 74.23 110.1 177.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.418 ' O ' ' HB2' ' A' ' 71' ' ' LEU . . . -74.03 -30.93 62.67 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.131 -0.941 . . . . 64.32 110.971 179.721 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.09 -44.47 76.17 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.115 0.566 . . . . 65.52 110.812 176.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.467 ' HA ' ' HE3' ' A' ' 72' ' ' LYS . 16.0 tppt? -60.3 -53.68 54.72 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 124.045 0.84 . . . . 72.24 109.45 177.181 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.1 t -64.55 -30.1 71.13 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 124.64 1.212 . . . . 61.52 111.039 -175.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.474 HD22 ' HB2' ' A' ' 91' ' ' ALA . 0.9 OUTLIER -60.34 -52.04 66.96 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.73 0.812 . . . . 71.24 108.922 173.768 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.467 ' HE3' ' HA ' ' A' ' 69' ' ' LYS . 8.9 mtmp? -66.83 -37.2 84.05 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.649 0.78 . . . . 64.22 111.615 -177.067 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 69' ' ' LYS . 9.9 mm-40 -74.82 -24.3 58.6 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 109.962 -0.385 . . . . 64.51 109.962 179.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.507 ' O ' HG13 ' A' ' 78' ' ' ILE . . . -70.32 -37.67 74.77 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-O 119.017 -0.516 . . . . 64.54 109.941 171.426 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.44 ' HA ' HD12 ' A' ' 78' ' ' ILE . 37.2 mm -53.68 -44.49 58.55 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 C-N-CA 123.931 0.892 . . . . 74.52 112.5 -173.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 11.9 t -69.52 -30.44 68.28 Favored 'General case' 0 CA--C 1.551 1.006 0 O-C-N 123.268 0.355 . . . . 71.1 110.71 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -85.22 -8.54 58.51 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.035 0.934 . . . . 74.22 111.828 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.507 HG13 ' O ' ' A' ' 74' ' ' ALA . 38.1 mt . . . . . 0 N--CA 1.484 1.241 0 C-N-CA 123.724 0.81 . . . . 54.5 111.337 -179.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.27 0 N-CA-C 111.769 0.285 . . . . 71.15 111.769 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -75.43 -34.34 60.99 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 112.038 0.385 . . . . 73.34 112.038 -176.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -63.35 -29.45 70.76 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.345 0.658 . . . . 73.25 110.208 176.043 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.586 ' HA ' ' HD3' ' A' ' 92' ' ' LYS . 6.5 mm-40 -73.28 -39.41 65.38 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.71 0.804 . . . . 63.04 110.502 178.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 47.0 mtm -63.66 -34.0 76.87 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 116.054 -0.521 . . . . 75.03 110.738 174.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.474 ' HB2' HD22 ' A' ' 71' ' ' LEU . . . -61.34 -26.89 68.11 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 115.523 -0.762 . . . . 60.44 111.792 177.213 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.586 ' HD3' ' HA ' ' A' ' 89' ' ' GLU . 14.1 mptt -60.95 -43.05 99.25 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 123.215 0.322 . . . . 64.31 110.592 173.02 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.58 ' HB2' ' HE1' ' A' ' 49' ' ' PHE . 73.4 mmtt -59.6 -46.64 88.37 Favored 'General case' 0 N--CA 1.48 1.046 0 O-C-N 123.713 0.633 . . . . 70.21 110.175 -179.128 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.46 -32.35 68.65 Favored 'General case' 0 CA--C 1.548 0.903 0 O-C-N 124.431 1.082 . . . . 74.41 111.855 178.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.413 ' O ' ' HG3' ' A' ' 99' ' ' GLN . 48.1 mt-10 -72.12 -47.86 48.01 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.523 0.729 . . . . 43.01 110.28 174.589 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.438 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 32.3 mm-40 -60.86 -37.65 82.86 Favored 'General case' 0 N--CA 1.483 1.189 0 O-C-N 123.996 0.81 . . . . 75.31 111.446 -175.164 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 29.5 m0 -68.82 -43.45 75.55 Favored 'General case' 0 C--O 1.224 -0.249 0 O-C-N 124.192 0.932 . . . . 72.5 110.193 177.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 52.6 tp -61.9 -43.71 98.28 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 123.56 0.537 . . . . 75.02 110.828 179.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.413 ' HG3' ' O ' ' A' ' 95' ' ' GLU . 74.8 mt-30 -67.7 -30.69 70.27 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.656 0.782 . . . . 65.52 110.655 -179.49 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -69.85 -41.63 74.64 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.483 0.713 . . . . 71.1 110.755 175.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.432 ' HB3' HG22 ' A' ' 61' ' ' THR . 61.5 mm-40 . . . . . 0 N--CA 1.474 0.749 0 C-N-CA 123.524 0.73 . . . . 63.32 111.681 -178.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 11.4 mtm . . . . . 0 CA--C 1.542 0.649 0 N-CA-C 109.58 -0.526 . . . . 74.43 109.58 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.77 -44.66 1.49 Allowed Glycine 0 N--CA 1.468 0.798 0 N-CA-C 109.544 -1.422 . . . . 73.43 109.544 -170.384 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.3 tpp180 -59.88 -40.44 88.69 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 124.136 0.975 . . . . 74.43 109.631 174.035 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.29 -43.21 78.63 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.069 0.948 . . . . 74.45 111.417 176.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.541 HD23 HD12 ' A' ' 31' ' ' ILE . 36.5 mt -65.07 -45.71 84.21 Favored 'General case' 0 C--N 1.361 1.077 0 O-C-N 123.482 0.488 . . . . 61.42 110.854 178.381 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.413 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 78.5 t80 -52.74 -42.17 64.69 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.04 0.936 . . . . 75.1 110.625 175.163 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.427 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 18.8 m120 -73.1 -31.15 64.16 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 123.671 0.788 . . . . 73.23 112.696 -177.66 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.541 HD12 HD23 ' A' ' 28' ' ' LEU . 73.4 mt -65.95 -38.82 82.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 N-CA-C 109.189 -0.671 . . . . 71.5 109.189 172.185 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.475 ' HA2' ' HA ' ' A' ' 44' ' ' ALA . . . -61.03 -40.28 98.28 Favored Glycine 0 C--N 1.349 1.275 0 CA-C-N 114.289 -1.323 . . . . 72.44 112.042 175.461 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 29' ' ' TYR . 83.0 mt -59.79 -41.67 91.68 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.088 0.555 . . . . 72.12 110.726 177.627 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 30' ' ' ASN . 14.9 mm-40 -72.25 -38.88 68.79 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.17 0.588 . . . . 73.1 112.106 -175.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -77.12 -32.79 56.71 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 111.445 0.165 . . . . 64.51 111.445 -179.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -67.94 -33.11 74.05 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 109.419 -0.586 . . . . 73.23 109.419 173.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -65.82 -36.34 83.21 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 125.154 1.381 . . . . 72.12 110.652 175.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 68.9 mtm -91.61 10.15 29.25 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.606 0.762 . . . . 72.4 111.62 178.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 92.73 -15.64 62.12 Favored Glycine 0 C--N 1.357 1.696 0 N-CA-C 114.395 0.518 . . . . 70.42 114.395 171.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 40.2 mtmt -84.35 70.05 10.57 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 123.752 0.821 . . . . 74.33 109.741 -177.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.48 -15.03 61.33 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 114.881 -1.054 . . . . 74.23 112.776 -173.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.4 ttp180 -71.53 -53.14 14.81 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.324 0.649 . . . . 75.53 111.112 176.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -59.17 -44.0 92.13 Favored 'General case' 0 N--CA 1.48 1.075 0 O-C-N 123.787 0.679 . . . . 74.33 109.456 175.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.475 ' HA ' ' HA2' ' A' ' 32' ' ' GLY . . . -53.73 -45.12 70.4 Favored 'General case' 0 C--N 1.346 0.414 0 CA-C-N 114.197 -1.365 . . . . 64.11 111.636 178.22 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.42 -38.01 85.57 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 124.223 0.952 . . . . 62.33 111.899 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -64.48 -39.03 93.03 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.172 0.589 . . . . 74.4 110.689 177.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.502 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 55.2 m-85 -71.46 -35.73 70.96 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.17 0.588 . . . . 75.21 112.015 -179.743 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.419 ' O ' ' HB1' ' A' ' 67' ' ' ALA . 23.3 m-85 -65.88 -38.83 89.82 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 123.698 0.623 . . . . 74.23 110.146 174.063 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -64.18 -51.55 63.22 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.4 0.68 . . . . 75.32 110.92 178.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -61.02 -37.41 82.44 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.756 0.823 . . . . 74.21 110.845 179.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.47 -49.57 77.05 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 115.332 -0.849 . . . . 63.43 109.794 175.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.33 -31.42 71.28 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 114.8 -1.091 . . . . 71.41 111.901 -177.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.422 HG22 ' HE3' ' A' ' 57' ' ' LYS . 87.9 mt -59.07 -48.65 86.02 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 C-N-CA 123.748 0.819 . . . . 74.1 110.458 174.178 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 40.1 t -66.93 -41.16 87.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 123.732 0.813 . . . . 64.44 110.228 -177.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -72.77 -26.68 61.63 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 111.94 0.348 . . . . 74.53 111.94 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -70.49 -49.25 50.37 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 122.944 0.497 . . . . 72.23 111.211 177.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.422 ' HE3' HG22 ' A' ' 53' ' ' ILE . 17.0 ptpt -66.94 -28.13 68.04 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.156 0.582 . . . . 73.23 112.274 178.049 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.34 -11.53 56.18 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 122.841 0.456 . . . . 71.33 111.219 171.285 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 59.24 27.94 17.12 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 124.671 1.188 . . . . 71.03 111.535 -177.231 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -79.49 89.83 5.06 Favored 'General case' 0 C--N 1.349 0.581 0 N-CA-C 108.095 -1.076 . . . . 63.43 108.095 174.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 55.8 p -60.96 -26.38 67.49 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 114.628 -1.169 . . . . 75.54 112.028 -175.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.469 ' O ' ' HG2' ' A' ' 66' ' ' ARG . 8.6 t70 -61.7 -61.92 2.17 Favored 'General case' 0 C--N 1.353 0.752 0 O-C-N 123.727 0.642 . . . . 73.21 110.716 178.058 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -69.48 -33.66 72.72 Favored Glycine 0 C--N 1.348 1.207 0 O-C-N 124.037 0.835 . . . . 54.52 112.616 -173.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 65.1 tp -61.91 -43.75 98.2 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.022 0.929 . . . . 65.22 110.02 174.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 21.5 ttt180 -71.7 -34.97 70.06 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 115.642 -0.708 . . . . 75.15 110.606 178.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.469 ' HG2' ' O ' ' A' ' 62' ' ' ASP . 30.6 mmt180 -60.31 -48.36 82.06 Favored 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 109.565 -0.532 . . . . 74.14 109.565 176.592 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.419 ' HB1' ' O ' ' A' ' 48' ' ' PHE . . . -66.42 -44.43 82.94 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 114.915 -1.039 . . . . 71.43 111.491 -177.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.81 -40.53 91.97 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.758 0.823 . . . . 74.24 112.225 -179.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -72.28 -39.81 68.06 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.538 1.135 . . . . 61.34 109.68 -178.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 20.8 t -72.22 -30.3 64.78 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.644 0.778 . . . . 71.11 110.57 178.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.496 HD13 ' HA ' ' A' ' 91' ' ' ALA . 4.3 mt -60.72 -53.71 54.05 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.156 0.982 . . . . 73.44 111.097 177.508 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -58.45 -39.92 81.19 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 123.58 0.752 . . . . 74.15 111.419 -177.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -73.04 -32.2 64.91 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 115.846 -0.615 . . . . 74.33 110.758 177.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.545 ' O ' HG13 ' A' ' 78' ' ' ILE . . . -65.44 -31.81 73.1 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 116.283 -0.417 . . . . 74.11 110.496 175.383 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.411 HG12 ' O ' ' A' ' 71' ' ' LEU . 17.1 mm -66.29 -49.8 73.03 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 C-N-CA 123.233 0.613 . . . . 73.03 111.037 -177.091 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.0 t -67.68 -17.08 64.46 Favored 'General case' 0 CA--C 1.551 1.001 0 CA-C-N 116.019 -0.537 . . . . 71.3 110.767 176.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.39 -16.39 29.19 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.022 0.929 . . . . 72.04 112.428 177.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.545 HG13 ' O ' ' A' ' 74' ' ' ALA . 64.7 mt . . . . . 0 N--CA 1.484 1.232 0 N-CA-C 108.847 -0.797 . . . . 72.0 108.847 176.424 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 . . . . . 0 N--CA 1.477 0.914 0 CA-C-O 121.167 0.508 . . . . 52.22 109.873 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.469 ' HA ' ' HE2' ' A' ' 90' ' ' MET . . . -77.08 -27.99 54.41 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.522 -0.763 . . . . 74.1 111.864 -172.029 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -69.86 -29.66 66.95 Favored 'General case' 0 CA--C 1.547 0.83 0 O-C-N 123.381 0.425 . . . . 54.41 110.51 178.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -66.87 -34.36 77.62 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.782 0.833 . . . . 70.33 110.534 174.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.469 ' HE2' ' HA ' ' A' ' 87' ' ' ALA . 50.2 mtm -74.8 -34.62 62.44 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.845 0.858 . . . . 73.22 110.438 176.194 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.496 ' HA ' HD13 ' A' ' 71' ' ' LEU . . . -61.17 -40.91 95.67 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 124.053 0.846 . . . . 74.43 110.514 174.665 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.473 ' O ' ' HG2' ' A' ' 96' ' ' GLU . 29.2 mmtp -71.81 -39.47 69.81 Favored 'General case' 0 C--O 1.216 -0.68 0 CA-C-N 115.064 -0.971 . . . . 73.13 111.21 176.693 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.3 mmtm -56.11 -49.76 72.96 Favored 'General case' 0 N--CA 1.494 1.728 0 C-N-CA 123.452 0.701 . . . . 62.34 111.31 178.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.465 ' HA ' ' CE3' ' A' ' 97' ' ' TRP . . . -67.7 -32.14 72.59 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.212 0.605 . . . . 71.3 111.792 179.341 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.24 -35.18 68.77 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 123.414 0.685 . . . . 71.33 109.866 178.222 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 13.2 mm-40 -70.43 -31.62 68.88 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.513 0.725 . . . . 73.44 110.234 178.375 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . 0.465 ' CE3' ' HA ' ' A' ' 94' ' ' ALA . 38.0 m0 -68.97 -38.13 79.2 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 123.698 0.624 . . . . 61.25 110.297 173.351 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 48.0 tp -64.0 -42.51 97.15 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 123.539 0.524 . . . . 75.52 110.155 176.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 -67.17 -29.88 69.7 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.568 0.747 . . . . 74.04 111.123 177.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.01 -42.57 84.73 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.372 0.669 . . . . 64.21 110.656 175.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 . . . . . 0 N--CA 1.475 0.795 0 C-N-CA 123.561 0.744 . . . . 74.41 110.98 178.137 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 3.8 mpp? . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 113.52 0.933 . . . . 71.53 113.52 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -50.34 -39.64 36.34 Favored Glycine 0 N--CA 1.483 1.828 0 N-CA-C 115.893 1.117 . . . . 71.1 115.893 -168.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 51.7 mtp180 -73.03 -27.16 61.61 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.167 0.587 . . . . 74.51 112.153 -179.027 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.466 ' O ' HG13 ' A' ' 31' ' ' ILE . . . -59.28 -46.68 87.88 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 122.83 0.452 . . . . 73.43 110.887 -179.6 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.619 HD23 HD12 ' A' ' 31' ' ' ILE . 12.6 mt -60.22 -39.14 85.57 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 123.574 0.546 . . . . 74.21 111.262 175.666 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -59.54 -41.05 89.19 Favored 'General case' 0 CA--C 1.547 0.851 0 O-C-N 123.894 0.746 . . . . 72.32 110.632 177.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 62.1 m-80 -67.59 -34.97 78.09 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.017 0.527 . . . . 74.4 111.729 178.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.619 HD12 HD23 ' A' ' 28' ' ' LEU . 50.7 mt -67.24 -38.42 80.96 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.215 0 CA-C-O 121.442 0.639 . . . . 72.02 109.739 178.597 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.89 -46.92 92.58 Favored Glycine 0 C--N 1.349 1.263 0 CA-C-N 114.791 -1.095 . . . . 52.33 111.831 174.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 91.1 mt -57.62 -36.08 71.32 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.65 0.78 . . . . 75.12 111.581 179.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -62.42 -51.75 66.3 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.648 0.779 . . . . 70.41 111.791 178.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.469 ' HB3' ' HB2' ' A' ' 40' ' ' LYS . 89.5 mttt -71.33 -37.66 71.72 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 122.801 0.441 . . . . 74.24 111.602 -178.21 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -60.67 -41.4 94.99 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.969 0.907 . . . . 73.33 110.273 179.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 48.9 tttm -67.9 -29.59 68.72 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 125.3 1.44 . . . . 71.45 111.264 178.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 71.3 mtm -87.09 0.91 54.49 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 123.366 0.666 . . . . 53.45 111.804 174.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 92.3 -9.46 76.15 Favored Glycine 0 C--N 1.353 1.496 0 C-N-CA 123.048 0.356 . . . . 63.51 113.814 178.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.469 ' HB2' ' HB3' ' A' ' 35' ' ' LYS . 58.3 mttm -78.45 64.78 3.6 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.531 1.132 . . . . 60.45 109.72 176.639 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.11 -20.02 46.02 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.632 0.773 . . . . 65.54 112.389 -170.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? -69.41 -46.39 66.96 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 108.795 -0.816 . . . . 60.35 108.795 172.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -64.78 -41.38 95.88 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 114.532 -1.213 . . . . 74.05 110.61 178.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.18 -44.22 87.9 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 124.403 1.081 . . . . 72.23 111.513 176.132 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.62 -33.75 68.57 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 124.62 1.2 . . . . 65.03 111.944 -178.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -63.17 -47.36 82.98 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 124.003 0.921 . . . . 70.45 110.713 177.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.448 ' HE2' ' HD2' ' A' ' 35' ' ' LYS . 86.0 m-85 -69.88 -36.4 75.42 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 115.559 -0.746 . . . . 71.1 111.377 -178.136 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.495 ' HB2' ' HG ' ' A' ' 71' ' ' LEU . 20.4 m-85 -66.95 -34.12 77.06 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 123.892 0.745 . . . . 73.25 110.765 176.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -70.27 -51.98 26.39 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 123.701 0.626 . . . . 74.22 111.202 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.463 ' O ' HG23 ' A' ' 54' ' ' VAL . 99.5 mtt180 -62.55 -38.16 88.97 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 124.101 0.876 . . . . 73.24 110.368 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.2 -45.42 93.21 Favored 'General case' 0 C--N 1.354 0.775 0 O-C-N 123.796 0.685 . . . . 75.14 110.03 173.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.61 -36.0 81.36 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.733 0.813 . . . . 34.13 112.037 -178.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 98.0 mt -60.32 -41.99 89.14 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 C-N-CA 123.751 0.82 . . . . 71.22 110.118 174.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 50' ' ' ARG . 49.5 t -73.65 -35.05 43.18 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 CA-C-N 115.234 -0.894 . . . . 74.15 110.777 -178.484 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -70.95 -28.56 64.56 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.247 0.619 . . . . 75.05 111.217 175.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.408 ' CD1' ' HB3' ' A' ' 97' ' ' TRP . 34.5 t80 -77.26 -47.51 19.94 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.31 0.644 . . . . 64.34 111.584 -178.308 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.0 -34.93 75.58 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.003 0.521 . . . . 63.11 112.325 176.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -84.27 -11.93 55.57 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 122.566 0.347 . . . . 60.23 110.817 175.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 63.81 33.85 12.39 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 125.534 1.534 . . . . 73.21 112.363 177.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -80.79 93.1 6.16 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 108.371 -0.974 . . . . 55.24 108.371 175.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.421 HG22 ' HB3' ' A' ' 101' ' ' GLU . 6.9 p -54.63 -39.47 67.97 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.156 0.982 . . . . 72.21 112.869 -178.376 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -62.25 -54.08 45.87 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.859 0.724 . . . . 75.45 111.087 -179.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -73.08 -34.54 58.36 Favored Glycine 0 C--N 1.342 0.887 0 O-C-N 124.265 0.978 . . . . 64.43 113.113 -173.428 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.513 HD23 ' HG3' ' A' ' 101' ' ' GLU . 51.4 tp -64.28 -45.54 87.57 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.282 0.633 . . . . 74.44 109.919 175.437 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.465 ' O ' ' HG2' ' A' ' 69' ' ' LYS . 43.3 ttt-85 -60.05 -41.94 93.4 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 124.19 0.931 . . . . 71.32 110.759 173.112 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.0 ttt180 -65.15 -42.09 94.12 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.517 1.127 . . . . 72.11 110.15 -174.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.529 ' O ' ' HB2' ' A' ' 71' ' ' LEU . . . -75.04 -34.39 61.85 Favored 'General case' 0 C--N 1.346 0.448 0 CA-C-N 114.493 -1.231 . . . . 65.31 110.727 178.093 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.8 -47.66 68.48 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.08 0.952 . . . . 52.31 112.058 -177.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.465 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 70.2 mmtt -68.1 -48.23 66.06 Favored 'General case' 0 C--O 1.22 -0.498 0 CA-C-N 115.303 -0.862 . . . . 75.3 109.99 179.706 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 13.6 t -63.71 -29.93 71.09 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.384 0.673 . . . . 53.02 111.333 -178.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.529 ' HB2' ' O ' ' A' ' 67' ' ' ALA . 0.9 OUTLIER -63.27 -51.9 64.26 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.959 0.904 . . . . 72.15 108.732 173.638 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.7 ttpp -66.07 -31.81 72.91 Favored 'General case' 0 CA--C 1.552 1.043 0 CA-C-N 114.611 -1.177 . . . . 75.42 111.397 -177.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' A' ' 69' ' ' LYS . 23.9 mm-40 -74.67 -30.41 61.57 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.455 0.702 . . . . 70.13 109.845 176.346 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.441 ' O ' HG13 ' A' ' 78' ' ' ILE . . . -68.99 -34.54 75.47 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 116.068 -0.514 . . . . 44.55 110.209 174.334 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.412 HG12 ' O ' ' A' ' 71' ' ' LEU . 23.5 mm -62.92 -46.36 96.53 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 C-N-CA 123.032 0.533 . . . . 63.34 112.022 -176.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 14.7 t -71.16 -15.21 62.48 Favored 'General case' 0 CA--C 1.551 0.987 0 CA-C-N 115.798 -0.637 . . . . 64.43 111.211 179.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -100.89 0.26 38.12 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 124.113 0.965 . . . . 64.43 112.149 177.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 74' ' ' ALA . 62.8 mt . . . . . 0 N--CA 1.486 1.333 0 C-N-CA 122.986 0.514 . . . . 75.34 109.902 176.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.904 0 CA-C-O 120.765 0.316 . . . . 70.41 111.303 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.46 -27.88 63.57 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.241 -0.436 . . . . 73.11 110.493 176.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.461 ' O ' ' HG3' ' A' ' 92' ' ' LYS . 77.5 tttt -72.84 -30.35 63.95 Favored 'General case' 0 C--O 1.214 -0.8 0 CA-C-N 116.314 -0.403 . . . . 63.05 110.807 177.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -53.75 -37.36 63.32 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.192 0.597 . . . . 70.42 110.238 174.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 49.3 mtm -67.57 -40.57 84.89 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 114.5 -1.227 . . . . 64.21 110.968 177.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.451 ' HA ' HD13 ' A' ' 71' ' ' LEU . . . -62.55 -44.09 97.21 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.294 0.637 . . . . 62.31 110.331 175.506 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.517 ' O ' ' HG2' ' A' ' 96' ' ' GLU . 83.3 mttt -60.31 -42.12 94.9 Favored 'General case' 0 C--N 1.352 0.708 0 O-C-N 124.353 1.033 . . . . 55.54 109.906 179.625 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 67.6 mmtt -57.99 -50.86 71.94 Favored 'General case' 0 N--CA 1.482 1.166 0 O-C-N 124.478 1.111 . . . . 73.01 111.014 178.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.64 -33.12 74.39 Favored 'General case' 0 CA--C 1.547 0.846 0 O-C-N 124.219 0.949 . . . . 52.04 111.435 -179.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -73.68 -38.19 65.0 Favored 'General case' 0 CA--C 1.55 0.97 0 CA-C-N 115.348 -0.842 . . . . 73.54 110.86 174.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.517 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 32.8 mm-40 -60.7 -47.19 87.38 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 123.78 0.832 . . . . 71.23 110.065 179.352 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . 0.529 ' O ' ' HG2' ' A' ' 101' ' ' GLU . 39.0 m0 -62.09 -44.32 96.91 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-N 114.023 -1.444 . . . . 71.54 110.119 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 54.3 tp -59.24 -45.98 89.71 Favored 'General case' 0 CA--C 1.549 0.92 0 O-C-N 124.245 0.966 . . . . 73.42 111.875 179.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -61.25 -35.5 77.44 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 123.882 0.873 . . . . 71.0 110.929 177.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -75.06 -30.99 61.15 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 115.095 -0.957 . . . . 71.22 111.096 179.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.529 ' HG2' ' O ' ' A' ' 97' ' ' TRP . 16.9 mm-40 . . . . . 0 N--CA 1.477 0.895 0 C-N-CA 123.794 0.837 . . . . 73.34 111.074 176.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 3.6 mpp? . . . . . 0 N--CA 1.478 0.935 0 CA-C-O 121.302 0.572 . . . . 53.33 112.042 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.8 -56.45 2.6 Favored Glycine 0 C--N 1.348 1.195 0 N-CA-C 110.18 -1.168 . . . . 64.15 110.18 -171.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -57.69 -35.14 70.2 Favored 'General case' 0 C--N 1.35 0.615 0 C-N-CA 123.571 0.748 . . . . 51.23 111.051 178.062 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.44 -54.2 46.55 Favored 'General case' 0 C--N 1.354 0.782 0 O-C-N 123.809 0.693 . . . . 72.22 110.339 178.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.529 HD13 ' HB2' ' A' ' 50' ' ' ARG . 27.8 mt -58.07 -36.32 72.64 Favored 'General case' 0 C--N 1.359 0.998 0 O-C-N 123.315 0.384 . . . . 71.14 111.506 -178.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -61.04 -53.69 54.07 Favored 'General case' 0 CA--C 1.559 1.301 0 C-N-CA 123.295 0.638 . . . . 73.04 110.685 176.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -65.58 -43.61 89.22 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.337 0.655 . . . . 74.53 111.959 -174.048 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.515 HG22 ' HE2' ' A' ' 35' ' ' LYS . 20.2 mt -69.95 -35.75 65.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 123.8 0.84 . . . . 64.5 109.45 179.341 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -60.91 -38.29 95.16 Favored Glycine 0 C--N 1.351 1.388 0 CA-C-N 115.445 -0.798 . . . . 64.31 112.73 179.137 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.6 mt -59.14 -39.14 81.47 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.333 0.653 . . . . 72.31 110.722 174.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -66.67 -39.08 88.0 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.675 0.79 . . . . 61.14 111.864 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.515 ' HE2' HG22 ' A' ' 31' ' ' ILE . 4.8 mptp? -62.06 -49.94 73.97 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.194 0.598 . . . . 70.41 109.89 173.052 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -58.21 -39.71 79.7 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 124.479 1.112 . . . . 74.52 110.851 -176.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.1 ttpp -58.56 -37.3 75.45 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.722 1.209 . . . . 64.4 112.463 179.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 54.1 mtm -84.18 -17.06 41.2 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 122.607 0.363 . . . . 64.45 111.871 -179.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 105.86 10.4 30.56 Favored Glycine 0 C--N 1.341 0.858 0 O-C-N 123.537 0.523 . . . . 34.22 112.88 -176.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.402 ' HB2' ' HB3' ' A' ' 35' ' ' LYS . 70.6 mmtt -83.66 57.03 3.87 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 108.165 -1.05 . . . . 60.21 108.165 171.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.477 ' HB1' ' O ' ' A' ' 74' ' ' ALA . . . -74.0 -27.92 61.2 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.635 0.774 . . . . 74.13 111.789 -169.348 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.473 HH11 ' HB2' ' A' ' 87' ' ' ALA . 27.4 tpt180 -64.83 -52.47 56.55 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.678 0.791 . . . . 75.43 109.907 172.025 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -66.15 -32.26 73.6 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.058 -0.974 . . . . 74.44 110.855 -178.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.7 -44.86 76.71 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 123.585 0.754 . . . . 43.55 110.594 178.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.23 -36.58 78.04 Favored 'General case' 0 C--N 1.349 0.576 0 O-C-N 124.28 0.988 . . . . 73.11 111.092 -179.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -57.55 -49.34 76.69 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.681 0.793 . . . . 61.01 110.516 173.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.476 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 3.5 m-85 -61.46 -45.87 92.43 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 115.093 -0.958 . . . . 74.23 111.519 -178.487 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.528 ' HB2' ' HG ' ' A' ' 71' ' ' LEU . 27.3 m-85 -66.04 -31.53 72.47 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 122.955 0.502 . . . . 73.14 111.653 -179.167 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -71.67 -52.15 19.36 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.486 0.714 . . . . 74.31 111.109 -179.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.529 ' HB2' HD13 ' A' ' 28' ' ' LEU . 44.9 mtt180 -67.34 -30.83 70.75 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 115.335 -0.848 . . . . 72.12 110.155 -178.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.48 -48.3 80.22 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 115.266 -0.879 . . . . 72.4 109.667 171.281 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.57 -30.93 71.97 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 124.432 1.083 . . . . 65.13 111.832 -178.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 80.2 mt -60.91 -44.42 97.86 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 C-N-CA 123.535 0.734 . . . . 73.53 110.53 173.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 47.5 t -70.03 -43.44 79.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 123.062 0.545 . . . . 74.02 110.074 178.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -64.1 -28.54 69.85 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.098 0.559 . . . . 75.03 111.632 179.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -72.45 -53.99 10.58 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.272 0.629 . . . . 62.14 111.0 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -66.25 -32.0 73.16 Favored 'General case' 0 N--CA 1.484 1.263 0 CA-C-N 116.308 -0.406 . . . . 71.14 111.509 179.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -86.36 -2.12 58.14 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 122.883 0.473 . . . . 74.41 111.099 175.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 57.68 27.07 13.76 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 124.735 1.214 . . . . 74.24 112.298 173.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -81.98 83.43 7.26 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.91 1.284 . . . . 65.13 108.488 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.685 HG22 ' HB3' ' A' ' 101' ' ' GLU . 25.7 p -55.64 -35.74 66.25 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.794 1.238 . . . . 71.41 112.414 -179.119 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -56.47 -54.39 46.25 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.753 1.221 . . . . 72.14 111.251 179.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -76.03 -39.09 33.57 Favored Glycine 0 C--N 1.344 1.004 0 CA-C-N 115.234 -0.894 . . . . 70.32 112.708 -177.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 44.2 tp -61.93 -41.86 98.43 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.478 0.711 . . . . 74.12 110.982 -178.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -65.94 -45.73 80.79 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.892 0.877 . . . . 73.3 110.531 -178.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -74.58 -30.09 61.58 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 114.93 -1.032 . . . . 73.34 110.866 -176.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.425 ' O ' ' HB2' ' A' ' 71' ' ' LEU . . . -75.23 -32.17 61.05 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.378 0.671 . . . . 55.52 110.467 176.006 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.65 -40.79 84.52 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.709 0.804 . . . . 72.5 110.324 175.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 23.4 mmmt -58.36 -53.22 60.8 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 114.599 -1.182 . . . . 63.23 110.904 172.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 62.4 m -68.09 -29.51 68.47 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.124 0.569 . . . . 73.41 112.142 -177.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.528 ' HG ' ' HB2' ' A' ' 48' ' ' PHE . 0.6 OUTLIER -63.68 -54.97 27.26 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.652 0.781 . . . . 55.15 109.555 -178.379 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -68.66 -35.21 76.94 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 115.87 -0.605 . . . . 74.42 112.149 -175.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -75.49 -23.74 56.81 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.274 0.63 . . . . 73.43 111.259 -178.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.477 ' O ' ' HB1' ' A' ' 41' ' ' ALA . . . -75.06 -35.91 61.82 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 122.69 0.396 . . . . 61.42 110.499 170.391 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.724 HD13 ' HA ' ' A' ' 88' ' ' LYS . 81.7 mt -71.47 -38.0 66.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 123.33 0.652 . . . . 62.25 112.076 -178.646 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 41.2 p -69.39 -16.81 63.59 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 116.533 -0.303 . . . . 72.32 110.843 174.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -85.68 -20.43 29.41 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.291 0.636 . . . . 64.41 111.435 173.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 28.2 mt . . . . . 0 N--CA 1.482 1.171 0 N-CA-C 107.767 -1.197 . . . . 73.14 107.767 170.358 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 . . . . . 0 N--CA 1.484 1.265 0 N-CA-C 111.774 0.287 . . . . 64.22 111.774 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.473 ' HB2' HH11 ' A' ' 42' ' ' ARG . . . -66.33 -24.34 66.51 Favored 'General case' 0 C--N 1.353 0.748 0 C-N-CA 122.816 0.447 . . . . 64.41 111.341 175.185 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.724 ' HA ' HD13 ' A' ' 75' ' ' ILE . 14.1 tmtt? -59.27 -33.61 71.26 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.42 1.088 . . . . 62.43 112.314 -172.226 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -61.21 -31.7 71.47 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.914 0.885 . . . . 73.44 111.74 178.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 50.0 mtm -65.07 -33.53 76.27 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.347 0.659 . . . . 70.02 111.931 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.559 ' HB2' HD12 ' A' ' 75' ' ' ILE . . . -58.02 -48.05 81.21 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 123.52 0.512 . . . . 73.32 110.327 173.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.457 ' O ' ' HG2' ' A' ' 96' ' ' GLU . 86.9 tttt -58.59 -43.2 89.43 Favored 'General case' 0 C--N 1.355 0.84 0 O-C-N 124.221 0.95 . . . . 74.31 110.776 176.762 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt -56.08 -51.54 67.49 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 124.276 0.985 . . . . 74.22 111.504 -178.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.62 -31.93 72.87 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 123.882 0.739 . . . . 75.32 111.944 -178.069 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -75.92 -37.35 58.84 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.804 0.842 . . . . 73.34 111.287 178.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 52.6 mm-40 -63.18 -41.55 99.24 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-O 121.461 0.648 . . . . 73.5 109.662 177.263 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 50.4 m0 -64.78 -42.23 95.25 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 114.256 -1.338 . . . . 64.55 110.487 175.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 42.3 tp -63.05 -31.46 72.61 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 124.218 0.949 . . . . 64.13 111.498 -178.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -67.15 -49.06 66.12 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 122.906 0.482 . . . . 72.32 110.259 174.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.39 64.18 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.26 0.624 . . . . 51.31 111.868 179.095 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.685 ' HB3' HG22 ' A' ' 61' ' ' THR . 76.2 mm-40 . . . . . 0 CA--C 1.544 0.723 0 CA-C-N 115.349 -0.841 . . . . 62.0 112.068 177.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 28.4 mtm . . . . . 0 CA--C 1.544 0.712 0 N-CA-C 109.09 -0.708 . . . . 72.31 109.09 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.17 -37.09 3.66 Favored Glycine 0 N--CA 1.473 1.101 0 N-CA-C 111.796 -0.522 . . . . 31.24 111.796 178.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.437 ' HA ' ' HZ ' ' A' ' 55' ' ' PHE . 73.8 ttt180 -68.13 -38.0 81.73 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.552 0.741 . . . . 63.12 109.496 174.103 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.406 ' O ' HG13 ' A' ' 31' ' ' ILE . . . -59.64 -43.19 93.95 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-N 115.369 -0.832 . . . . 63.31 111.101 173.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.28 -41.8 85.16 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 124.487 1.115 . . . . 74.54 110.462 -178.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -57.83 -41.62 82.66 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 114.999 -1.0 . . . . 74.13 111.401 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.41 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 40.5 m-80 -67.03 -40.07 87.15 Favored 'General case' 0 N--CA 1.484 1.267 0 O-C-N 123.171 0.295 . . . . 72.21 111.208 177.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.406 HG13 ' O ' ' A' ' 27' ' ' ALA . 51.2 mt -57.21 -45.98 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 C-N-CA 123.474 0.71 . . . . 73.11 110.301 179.421 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.63 -40.71 98.91 Favored Glycine 0 C--N 1.345 1.046 0 CA-C-N 114.292 -1.322 . . . . 55.22 112.811 179.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.2 mt -57.45 -51.29 70.04 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.233 0.613 . . . . 64.04 110.184 178.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' A' ' 30' ' ' ASN . 23.0 mm-40 -64.2 -36.54 84.4 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 124.069 0.855 . . . . 75.34 111.65 -176.314 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -64.87 -48.04 75.71 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.07 0.548 . . . . 74.41 111.421 175.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -60.48 -32.96 71.92 Favored 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 123.413 0.685 . . . . 75.45 111.092 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -69.34 -26.07 64.51 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.125 0.97 . . . . 65.5 112.187 178.298 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 27.7 mtm -90.68 -14.9 31.33 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 122.678 0.391 . . . . 71.32 111.446 176.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 105.01 7.81 37.61 Favored Glycine 0 C--N 1.345 1.053 0 CA-C-N 116.614 -0.266 . . . . 50.0 113.165 -176.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.9 mmpt? -90.59 45.88 1.29 Allowed 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.95 0.9 . . . . 62.51 109.588 176.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.435 ' HA ' ' HB3' ' A' ' 44' ' ' ALA . . . -67.43 -23.66 65.56 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.354 1.061 . . . . 74.15 111.93 -176.335 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.5 tpt85 -62.06 -50.42 72.05 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.796 0.838 . . . . 51.12 110.36 174.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -62.83 -47.27 84.14 Favored 'General case' 0 C--N 1.35 0.623 0 O-C-N 123.776 0.672 . . . . 71.01 109.362 174.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.435 ' HB3' ' HA ' ' A' ' 41' ' ' ALA . . . -55.64 -37.43 68.2 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.012 -0.995 . . . . 63.54 112.148 -176.342 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.17 -48.39 80.27 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 123.441 0.463 . . . . 75.45 111.012 178.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -58.47 -34.24 70.67 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.851 0.86 . . . . 72.15 110.964 175.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 3.1 m-30 -76.6 -37.95 55.59 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.504 1.122 . . . . 61.33 112.24 -174.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -76.26 -25.19 54.7 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 122.26 0.224 . . . . 74.22 110.623 176.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.443 ' CD1' ' HB3' ' A' ' 90' ' ' MET . 65.4 t80 -68.29 -51.36 45.8 Favored 'General case' 0 CA--C 1.537 0.466 0 O-C-N 123.699 0.625 . . . . 62.33 110.087 174.04 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.412 ' O ' HG23 ' A' ' 54' ' ' VAL . 57.3 mtt180 -59.6 -45.43 91.94 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 115.379 -0.828 . . . . 73.04 110.966 176.74 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.08 -44.88 91.94 Favored 'General case' 0 C--N 1.356 0.858 0 O-C-N 123.518 0.511 . . . . 72.34 110.026 177.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.51 -38.66 78.16 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 123.993 0.808 . . . . 63.41 111.679 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 49' ' ' PHE . 74.2 mt -64.54 -44.73 96.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 O-C-N 123.439 0.462 . . . . 72.13 110.9 176.693 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 50' ' ' ARG . 61.4 t -63.05 -45.9 97.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 C-N-CA 122.991 0.516 . . . . 53.24 111.012 -177.391 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.437 ' HZ ' ' HA ' ' A' ' 26' ' ' ARG . 46.7 m-85 -65.71 -46.3 79.46 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.074 0.549 . . . . 74.42 110.863 178.466 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -58.92 -37.7 77.27 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.815 0.846 . . . . 75.13 112.005 176.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 46.0 tptt -67.35 -31.96 72.58 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 124.18 0.992 . . . . 72.42 110.903 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -88.07 -9.15 54.24 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.517 0.727 . . . . 61.32 111.446 172.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 68.13 22.91 8.15 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.886 1.274 . . . . 75.11 111.753 -178.135 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -79.27 95.95 5.81 Favored 'General case' 0 C--O 1.241 0.609 0 N-CA-C 108.453 -0.943 . . . . 61.44 108.453 177.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.622 HG22 ' HB3' ' A' ' 101' ' ' GLU . 28.7 p -61.38 -38.27 86.42 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 114.526 -1.215 . . . . 72.5 112.672 -172.408 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -71.72 -38.34 70.51 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 123.488 0.492 . . . . 75.24 111.337 -173.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -69.38 -44.21 66.17 Favored Glycine 0 C--N 1.339 0.7 0 N-CA-C 111.668 -0.573 . . . . 53.0 111.668 177.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 55.7 tp -59.39 -37.8 78.89 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.135 0.974 . . . . 62.2 110.604 175.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -65.81 -43.72 87.78 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.084 1.354 . . . . 75.33 110.782 178.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -66.87 -42.38 85.74 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.237 -0.892 . . . . 73.13 110.659 178.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -72.26 -30.58 64.99 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.02 0.928 . . . . 64.25 111.273 -177.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.04 -49.11 48.38 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.813 0.845 . . . . 64.34 111.826 -178.345 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -67.0 -42.45 84.98 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 115.482 -0.781 . . . . 72.24 110.829 174.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.3 t -65.79 -28.77 69.26 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 122.625 0.37 . . . . 73.04 111.175 -178.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.402 HD22 HD11 ' A' ' 75' ' ' ILE . 0.9 OUTLIER -59.16 -53.81 54.06 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.642 0.777 . . . . 73.44 109.315 177.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.491 ' HA ' HD12 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -70.59 -27.07 63.83 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 116.247 -0.433 . . . . 62.13 111.994 -179.645 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -65.06 -33.85 77.02 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.467 0.707 . . . . 74.34 111.285 173.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.406 ' O ' ' HB1' ' A' ' 41' ' ' ALA . . . -70.11 -47.16 62.97 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 109.732 -0.47 . . . . 73.32 109.732 171.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.716 HD13 ' HA ' ' A' ' 88' ' ' LYS . 78.3 mt -60.57 -44.56 96.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 124.191 0.996 . . . . 72.24 113.58 -174.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 14.6 t -69.75 -19.33 63.53 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 116.325 -0.398 . . . . 74.43 110.371 179.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -96.17 -11.37 26.27 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 123.99 0.916 . . . . 71.4 112.234 177.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 69.4 mt . . . . . 0 N--CA 1.488 1.436 0 N-CA-C 108.786 -0.82 . . . . 70.52 108.786 174.839 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 . . . . . 0 N--CA 1.484 1.254 0 CA-C-O 120.67 0.271 . . . . 72.22 110.653 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.13 -39.58 86.62 Favored 'General case' 0 C--N 1.348 0.503 0 CA-C-N 115.698 -0.683 . . . . 43.52 110.623 175.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.716 ' HA ' HD13 ' A' ' 75' ' ' ILE . 11.1 tmtt? -61.84 -37.16 83.44 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 123.968 0.907 . . . . 61.24 110.131 178.672 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -67.12 -29.97 69.85 Favored 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 124.485 1.114 . . . . 63.33 111.018 -178.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.443 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 41.6 mtm -67.73 -32.72 73.54 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.722 0.809 . . . . 62.24 112.926 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -53.7 -33.37 55.28 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.049 0.54 . . . . 75.43 111.709 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.44 -39.55 92.19 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.357 0.663 . . . . 72.01 110.907 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.419 ' HB2' ' HE1' ' A' ' 49' ' ' PHE . 28.5 mmtp -59.7 -52.29 66.13 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 123.651 0.595 . . . . 74.11 111.381 -178.525 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.406 ' HA ' ' CE3' ' A' ' 97' ' ' TRP . . . -60.68 -32.24 71.46 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 124.155 0.909 . . . . 74.34 111.837 -177.581 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.464 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 8.1 mm-40 -75.96 -39.89 55.08 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.808 0.843 . . . . 74.22 111.927 176.508 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -68.83 -35.17 76.64 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 122.849 0.459 . . . . 73.53 110.84 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . 0.406 ' CE3' ' HA ' ' A' ' 94' ' ' ALA . 41.4 m0 -61.9 -46.56 88.86 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.148 -0.933 . . . . 54.32 109.2 172.19 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 32.5 tp -63.24 -37.85 88.86 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 123.723 0.809 . . . . 65.34 111.82 -178.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.464 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 12.0 mm100 -68.95 -39.82 79.28 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 122.998 0.519 . . . . 74.05 110.849 179.064 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.92 -28.2 61.41 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 115.875 -0.602 . . . . 53.01 111.147 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.622 ' HB3' HG22 ' A' ' 61' ' ' THR . 71.5 mm-40 . . . . . 0 N--CA 1.474 0.738 0 C-N-CA 123.466 0.706 . . . . 62.33 110.974 175.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 26.7 mtm . . . . . 0 CA--C 1.545 0.782 0 N-CA-C 109.838 -0.43 . . . . 52.34 109.838 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.76 -60.02 4.8 Favored Glycine 0 C--N 1.347 1.153 0 C-N-CA 123.498 0.57 . . . . 51.22 111.897 -170.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.417 ' O ' ' HB3' ' A' ' 29' ' ' TYR . 29.9 ttt85 -61.21 -31.45 71.22 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.033 1.333 . . . . 73.03 111.537 -177.203 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.34 -46.57 76.37 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 118.42 -0.8 . . . . 73.11 110.67 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.525 HD22 ' HD1' ' A' ' 47' ' ' TYR . 20.5 mt -59.73 -32.09 70.22 Favored 'General case' 0 N--CA 1.499 1.975 0 CA-C-N 118.416 0.553 . . . . 62.12 110.997 173.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.417 ' HB3' ' O ' ' A' ' 26' ' ' ARG . 74.0 t80 -62.54 -48.28 80.21 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 123.346 0.658 . . . . 72.14 110.273 176.651 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 -64.96 -37.37 87.41 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 123.216 0.606 . . . . 63.24 111.349 179.082 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 90.1 mt -64.72 -43.37 96.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 123.704 0.802 . . . . 72.31 109.664 177.024 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.36 -38.53 96.43 Favored Glycine 0 C--N 1.345 1.049 0 O-C-N 123.907 0.754 . . . . 64.44 112.07 178.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 89.6 mt -57.57 -42.23 82.68 Favored 'General case' 0 C--N 1.357 0.893 0 C-N-CA 123.361 0.664 . . . . 53.52 110.34 177.08 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -57.86 -48.36 80.02 Favored 'General case' 0 N--CA 1.478 0.972 0 O-C-N 123.931 0.769 . . . . 74.25 111.054 177.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.536 ' HE3' ' CE2' ' A' ' 47' ' ' TYR . 5.0 mptp? -59.68 -49.78 76.42 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.226 0.61 . . . . 72.34 110.489 178.557 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -59.47 -43.34 93.25 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.228 1.011 . . . . 52.04 110.973 -173.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -69.51 -27.38 65.13 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.922 0.889 . . . . 74.42 111.908 -178.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 76.5 mtm -89.98 -11.13 42.55 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.08 0.552 . . . . 64.41 111.849 178.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 95.58 4.23 60.77 Favored Glycine 0 N--CA 1.471 1.023 0 O-C-N 122.881 0.113 . . . . 64.32 113.067 -179.182 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -85.57 38.94 0.76 Allowed 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 124.247 1.019 . . . . 65.51 109.852 175.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.97 -15.77 63.09 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.212 1.005 . . . . 43.24 113.187 -164.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.418 ' HB2' HG23 ' A' ' 78' ' ' ILE . 8.6 tpt180 -64.58 -46.28 83.41 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 122.848 0.459 . . . . 65.54 109.94 173.566 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -69.43 -39.55 77.77 Favored 'General case' 0 C--N 1.345 0.404 0 CA-C-N 115.97 -0.559 . . . . 74.14 109.694 176.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.34 -44.17 68.26 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.955 0.902 . . . . 72.42 111.15 178.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.3 -39.52 79.57 Favored 'General case' 0 C--N 1.349 0.579 0 O-C-N 124.557 1.16 . . . . 74.45 110.953 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -63.31 -44.53 94.7 Favored 'General case' 0 C--N 1.362 1.135 0 C-N-CA 123.783 0.833 . . . . 60.34 110.728 176.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.536 ' CE2' ' HE3' ' A' ' 35' ' ' LYS . 65.9 m-85 -66.2 -43.12 87.7 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.588 0.755 . . . . 71.23 111.774 -178.045 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.444 ' HB2' ' HG ' ' A' ' 71' ' ' LEU . 25.9 m-85 -67.83 -31.56 71.5 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 123.877 0.736 . . . . 74.02 110.704 177.723 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.439 ' O ' HG13 ' A' ' 53' ' ' ILE . 36.5 t80 -68.18 -52.7 31.52 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.034 0.934 . . . . 73.22 110.575 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.424 ' O ' HG23 ' A' ' 54' ' ' VAL . 68.7 mtt180 -67.49 -35.23 78.75 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.617 0.767 . . . . 74.34 110.335 -178.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.91 -45.22 93.25 Favored 'General case' 0 C--N 1.353 0.757 0 O-C-N 124.284 0.99 . . . . 51.25 109.727 172.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.43 -35.67 81.66 Favored 'General case' 0 C--N 1.355 0.82 0 O-C-N 124.151 0.907 . . . . 63.31 111.642 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 49' ' ' PHE . 83.0 mt -62.3 -42.13 94.23 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.278 0 C-N-CA 123.569 0.747 . . . . 74.51 110.167 176.093 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.446 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 79.9 t -67.84 -48.78 74.12 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.759 0 C-N-CA 123.35 0.66 . . . . 73.33 110.258 178.61 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -59.3 -32.63 70.22 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.262 0.625 . . . . 55.22 111.639 178.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -72.71 -52.65 14.32 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.365 0.666 . . . . 75.44 111.244 -178.092 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.439 ' HE3' HG22 ' A' ' 53' ' ' ILE . 19.2 ptpt -65.62 -29.21 69.77 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.181 0.592 . . . . 75.32 112.316 -179.531 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' A' ' 54' ' ' VAL . 10.5 mm-40 -85.15 -11.12 55.8 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 122.88 0.472 . . . . 72.24 110.87 174.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 65.78 29.94 10.37 Favored 'General case' 0 C--N 1.356 0.848 0 C-N-CA 125.004 1.321 . . . . 64.22 112.335 176.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -84.69 85.71 7.41 Favored 'General case' 0 C--O 1.244 0.774 0 N-CA-C 107.536 -1.283 . . . . 73.25 107.536 169.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.426 ' O ' ' HG3' ' A' ' 65' ' ' ARG . 35.7 m -61.53 -43.62 98.54 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.347 1.059 . . . . 75.11 112.033 -174.145 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -63.97 -39.49 94.24 Favored 'General case' 0 N--CA 1.484 1.258 0 O-C-N 123.702 0.626 . . . . 71.33 111.096 -175.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -68.11 -37.34 87.07 Favored Glycine 0 C--N 1.341 0.813 0 CA-C-N 116.033 -0.531 . . . . 51.32 112.035 175.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 44.3 tp -63.44 -35.22 79.7 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.808 0.843 . . . . 74.35 110.302 175.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.555 ' HG2' HD11 ' A' ' 98' ' ' LEU . 60.8 mtp180 -64.17 -46.84 82.21 Favored 'General case' 0 C--N 1.362 1.109 0 C-N-CA 123.477 0.711 . . . . 61.11 110.017 176.627 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 23.4 ttt-85 -70.44 -34.39 72.42 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 124.378 1.049 . . . . 73.23 110.257 -175.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.452 ' O ' ' HB2' ' A' ' 71' ' ' LEU . . . -74.73 -37.67 62.47 Favored 'General case' 0 C--N 1.351 0.659 0 C-N-CA 123.847 0.859 . . . . 54.22 110.639 179.348 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.85 -43.51 75.3 Favored 'General case' 0 C--N 1.356 0.855 0 O-C-N 123.948 0.78 . . . . 73.53 110.999 179.107 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -60.54 -52.54 64.73 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 124.096 0.872 . . . . 72.35 111.004 178.192 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.6 t -70.08 -27.5 64.67 Favored 'General case' 0 C--N 1.345 0.372 0 O-C-N 124.201 0.938 . . . . 74.42 111.039 -176.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.475 ' O ' HG12 ' A' ' 75' ' ' ILE . 1.2 tt -59.01 -51.55 69.6 Favored 'General case' 0 C--N 1.361 1.104 0 N-CA-C 108.758 -0.83 . . . . 71.51 108.758 172.725 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.534 ' HG2' ' HB1' ' A' ' 91' ' ' ALA . 54.7 mtpt -69.52 -32.46 71.31 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.754 0.821 . . . . 71.52 111.948 -177.533 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -68.3 -33.46 74.37 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.4 0.68 . . . . 71.34 109.718 174.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.517 ' O ' HG13 ' A' ' 78' ' ' ILE . . . -69.11 -39.54 78.88 Favored 'General case' 0 C--O 1.215 -0.755 0 CA-C-O 118.66 -0.686 . . . . 72.45 110.013 174.422 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.595 HG21 ' HG2' ' A' ' 88' ' ' LYS . 32.7 mm -60.8 -47.17 94.44 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 C-N-CA 123.405 0.682 . . . . 74.32 111.485 -177.323 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 34.8 p -67.63 -18.39 64.95 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-N 114.703 -1.135 . . . . 63.41 111.293 177.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -99.06 -10.01 23.14 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.02 0.928 . . . . 65.01 112.03 177.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.517 HG13 ' O ' ' A' ' 74' ' ' ALA . 63.8 mt . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 118.768 -0.634 . . . . 45.43 109.345 177.115 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.014 0 CA-C-O 120.955 0.407 . . . . 72.52 111.45 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.12 -34.17 74.63 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.548 -0.751 . . . . 71.34 111.035 178.167 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.595 ' HG2' HG21 ' A' ' 75' ' ' ILE . 8.3 tmtt? -63.22 -36.85 85.03 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 123.76 0.824 . . . . 72.15 108.924 176.532 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.464 ' HA ' ' HE3' ' A' ' 92' ' ' LYS . 43.7 mt-10 -68.52 -30.62 69.47 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 115.015 -0.993 . . . . 43.02 110.823 178.694 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 61.1 mtm -67.34 -39.5 85.78 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.957 0.503 . . . . 71.51 110.744 174.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.534 ' HB1' ' HG2' ' A' ' 72' ' ' LYS . . . -64.88 -31.65 72.99 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 115.639 -0.709 . . . . 64.51 110.739 176.249 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.479 ' O ' ' HG2' ' A' ' 96' ' ' GLU . 10.1 mtmp? -63.27 -42.59 99.13 Favored 'General case' 0 C--N 1.362 1.137 0 O-C-N 123.649 0.593 . . . . 73.34 110.438 174.584 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.428 ' HB2' ' HE1' ' A' ' 49' ' ' PHE . 69.1 mmtt -58.56 -42.38 87.82 Favored 'General case' 0 N--CA 1.482 1.142 0 O-C-N 123.884 0.74 . . . . 74.02 110.947 178.38 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.49 -37.65 88.11 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.722 0.809 . . . . 64.13 111.497 -179.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -66.87 -39.42 87.52 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.663 0.785 . . . . 74.21 110.853 175.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.479 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 17.4 mm-40 -63.2 -52.06 63.84 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.614 0.766 . . . . 61.44 110.418 179.684 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 28.0 m0 -59.94 -32.9 71.22 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 124.111 0.882 . . . . 74.31 111.106 179.458 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.555 HD11 ' HG2' ' A' ' 65' ' ' ARG . 25.8 tp -66.48 -38.62 87.69 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 123.787 0.68 . . . . 71.4 110.772 179.043 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 12.4 mm-40 -68.65 -29.74 68.29 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 122.318 0.247 . . . . 62.32 110.616 177.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.59 -46.58 68.98 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.523 0.729 . . . . 53.21 110.71 177.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 . . . . . 0 N--CA 1.478 0.929 0 C-N-CA 123.707 0.803 . . . . 74.41 112.21 -179.291 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 33.4 mtm . . . . . 0 N--CA 1.47 0.56 0 N-CA-C 108.779 -0.823 . . . . 73.14 108.779 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.94 -60.72 4.42 Favored Glycine 0 C--N 1.346 1.138 0 N-CA-C 111.214 -0.754 . . . . 51.13 111.214 -177.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 42.3 ttp180 -64.57 -42.73 95.46 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.3 0.64 . . . . 73.45 109.632 170.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.429 ' O ' HG13 ' A' ' 31' ' ' ILE . . . -60.62 -43.26 97.71 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 123.945 0.778 . . . . 74.2 110.824 173.001 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.22 -35.49 81.23 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 124.375 1.07 . . . . 60.32 110.537 -179.686 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -65.01 -42.13 94.7 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 114.519 -1.218 . . . . 72.31 109.442 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -64.47 -36.72 85.11 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 124.009 0.818 . . . . 71.24 111.403 -178.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.43 ' O ' ' HD3' ' A' ' 35' ' ' LYS . 28.0 mt -65.16 -45.31 94.39 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.811 0 O-C-N 123.928 0.767 . . . . 73.54 109.499 175.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.55 -34.43 89.91 Favored Glycine 0 C--N 1.354 1.573 0 CA-C-N 115.423 -0.808 . . . . 55.43 113.366 -179.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 97.9 mt -57.78 -40.56 80.11 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.721 0.808 . . . . 65.23 110.246 174.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -74.79 -26.77 59.97 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.041 -0.981 . . . . 64.53 112.363 -178.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.43 ' HD3' ' O ' ' A' ' 31' ' ' ILE . 4.6 mptp? -64.46 -42.11 96.13 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 109.292 -0.633 . . . . 74.31 109.292 170.297 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -67.41 -30.75 70.58 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.709 0.803 . . . . 71.44 110.612 176.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -68.73 -25.79 64.92 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.869 0.868 . . . . 55.51 111.467 175.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 70.0 mtm -87.05 -4.68 59.18 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.036 0.534 . . . . 75.32 111.64 176.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.9 -1.8 87.78 Favored Glycine 0 C--N 1.341 0.821 0 N-CA-C 112.464 -0.254 . . . . 62.24 112.464 -173.509 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -84.36 67.73 9.96 Favored 'General case' 0 C--N 1.353 0.758 0 N-CA-C 108.374 -0.973 . . . . 60.11 108.374 175.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.66 -16.32 62.25 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 114.531 -1.213 . . . . 62.35 111.824 -176.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.493 ' HG2' HD13 ' A' ' 78' ' ' ILE . 2.1 tmm_? -72.61 -50.28 26.37 Favored 'General case' 0 C--N 1.355 0.839 0 N-CA-C 108.572 -0.899 . . . . 73.24 108.572 173.622 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -61.32 -34.57 75.47 Favored 'General case' 0 N--CA 1.479 1.001 0 O-C-N 124.115 0.885 . . . . 64.41 111.183 173.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.55 -51.75 68.5 Favored 'General case' 0 C--N 1.35 0.592 0 N-CA-C 109.381 -0.6 . . . . 72.31 109.381 175.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.63 -43.01 79.83 Favored 'General case' 0 C--N 1.351 0.647 0 O-C-N 124.726 1.266 . . . . 75.55 111.282 178.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.454 ' HG2' ' O ' ' A' ' 42' ' ' ARG . 72.3 mm-40 -53.35 -52.86 57.86 Favored 'General case' 0 C--N 1.355 0.835 0 C-N-CA 123.625 0.77 . . . . 71.34 110.576 178.255 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -72.46 -29.52 63.74 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.201 1.001 . . . . 73.42 111.752 -174.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -72.05 -32.88 67.51 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.087 0.555 . . . . 44.43 110.817 176.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -67.36 -50.63 59.02 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.597 -0.729 . . . . 72.33 110.129 175.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -65.1 -32.11 73.65 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 115.181 -0.918 . . . . 73.35 110.367 -178.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.95 -46.27 78.75 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 115.602 -0.726 . . . . 24.33 109.702 172.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.1 -32.63 72.31 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 124.191 0.932 . . . . 50.14 111.686 -179.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 72.2 mt -59.89 -49.92 82.09 Favored 'Isoleucine or valine' 0 C--N 1.359 0.997 0 C-N-CA 123.852 0.861 . . . . 75.1 110.089 173.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 76.1 t -59.45 -45.9 93.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 123.265 0.626 . . . . 70.35 110.964 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -63.67 -34.33 77.62 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 115.03 -0.986 . . . . 64.03 111.081 178.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -71.44 -40.12 70.56 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 123.023 0.529 . . . . 74.22 111.44 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.14 -44.91 71.79 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 123.17 0.588 . . . . 65.23 110.836 173.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -83.02 -9.0 59.49 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 115.202 -0.908 . . . . 71.41 111.819 178.255 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 59.61 29.19 18.74 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 124.831 1.252 . . . . 63.22 112.063 178.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -81.04 99.47 8.48 Favored 'General case' 0 C--O 1.241 0.606 0 C-N-CA 124.867 1.267 . . . . 64.15 108.084 178.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.448 HG22 ' HB3' ' A' ' 101' ' ' GLU . 35.4 p -62.04 -40.54 96.08 Favored 'General case' 0 C--O 1.214 -0.781 0 C-N-CA 123.83 0.852 . . . . 73.12 112.745 -174.527 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -64.78 -39.83 94.25 Favored 'General case' 0 N--CA 1.486 1.336 0 O-C-N 123.651 0.594 . . . . 70.12 111.5 -175.02 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -73.11 -45.06 33.23 Favored Glycine 0 C--N 1.344 1.021 0 O-C-N 123.551 0.532 . . . . 61.44 111.934 178.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 61.5 tp -59.46 -36.68 76.43 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 124.763 1.225 . . . . 73.35 110.764 176.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -65.98 -50.92 62.61 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.832 1.653 . . . . 72.22 110.264 177.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -64.35 -40.33 95.66 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.311 0.644 . . . . 61.15 110.836 -178.378 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.51 -32.87 73.14 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.29 0.636 . . . . 72.31 110.953 179.362 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.407 ' O ' ' HG2' ' A' ' 72' ' ' LYS . . . -71.14 -42.73 68.78 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.591 0.757 . . . . 64.22 111.469 177.623 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -66.57 -39.07 88.29 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.863 0.865 . . . . 72.41 110.237 177.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.0 t -70.05 -32.58 70.76 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 114.749 -1.114 . . . . 61.4 110.3 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.1 mt -61.47 -43.72 98.36 Favored 'General case' 0 C--N 1.361 1.073 0 C-N-CA 123.717 0.807 . . . . 74.54 110.413 172.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.407 ' HG2' ' O ' ' A' ' 68' ' ' ALA . 44.3 mmtm -59.35 -44.89 92.61 Favored 'General case' 0 N--CA 1.481 1.121 0 O-C-N 123.393 0.433 . . . . 65.34 110.559 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -67.35 -46.92 71.97 Favored 'General case' 0 N--CA 1.48 1.042 0 O-C-N 123.945 0.778 . . . . 75.41 110.808 -179.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.401 ' O ' HG13 ' A' ' 78' ' ' ILE . . . -60.11 -47.15 87.1 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.844 0.858 . . . . 73.43 111.177 -175.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.492 HD12 ' HB2' ' A' ' 91' ' ' ALA . 36.4 mt -74.44 -33.21 32.59 Favored 'Isoleucine or valine' 0 C--O 1.245 0.862 0 N-CA-C 112.203 0.446 . . . . 53.12 112.203 -173.554 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 68.2 p -76.81 -15.58 59.69 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 116.596 -0.275 . . . . 73.32 110.782 174.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -89.65 -18.3 26.74 Favored 'General case' 0 C--N 1.354 0.795 0 C-N-CA 123.435 0.694 . . . . 60.14 111.524 175.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.493 HD13 ' HG2' ' A' ' 42' ' ' ARG . 58.9 mt . . . . . 0 N--CA 1.487 1.424 0 N-CA-C 108.283 -1.006 . . . . 62.53 108.283 174.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 . . . . . 0 N--CA 1.478 0.943 0 CA-C-O 120.758 0.313 . . . . 72.31 110.158 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.7 -33.16 64.28 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 115.902 -0.59 . . . . 65.43 110.88 178.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.455 ' HA ' HD13 ' A' ' 75' ' ' ILE . 4.5 tppp? -60.34 -37.88 82.01 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.749 0.82 . . . . 74.04 110.566 -179.122 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -55.12 -31.96 61.68 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.236 1.014 . . . . 74.43 111.977 178.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 45.0 mtm -73.92 -32.58 63.6 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.511 1.124 . . . . 73.44 111.511 -178.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.492 ' HB2' HD12 ' A' ' 75' ' ' ILE . . . -59.8 -40.4 88.2 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 122.929 0.492 . . . . 51.23 110.236 173.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.456 ' O ' ' HG2' ' A' ' 96' ' ' GLU . 0.8 OUTLIER -64.5 -41.94 96.14 Favored 'General case' 0 C--N 1.364 1.202 0 O-C-N 124.101 0.875 . . . . 51.42 110.16 177.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 26.3 mmtp -59.51 -44.3 93.16 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 124.053 0.941 . . . . 71.43 111.937 178.192 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.45 -35.75 76.58 Favored 'General case' 0 N--CA 1.468 0.429 0 O-C-N 124.442 1.089 . . . . 70.55 111.103 177.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' A' ' 91' ' ' ALA . 19.7 mm-40 -75.54 -32.61 60.52 Favored 'General case' 0 C--O 1.219 -0.545 0 O-C-N 124.145 0.903 . . . . 73.13 111.154 176.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.456 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 58.4 mm-40 -63.04 -49.84 72.99 Favored 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 109.472 -0.566 . . . . 72.42 109.472 178.072 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . 0.452 ' O ' ' HG2' ' A' ' 101' ' ' GLU . 24.0 m0 -64.6 -45.65 86.04 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.202 -0.908 . . . . 74.25 110.53 -179.587 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 49.9 tp -62.42 -48.4 79.87 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 123.967 0.792 . . . . 71.42 111.826 -177.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -66.63 -27.23 67.52 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.399 0.679 . . . . 74.5 111.2 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.43 -36.83 65.99 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.236 0.614 . . . . 71.12 110.739 175.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' A' ' 97' ' ' TRP . 49.4 mm-40 . . . . . 0 N--CA 1.474 0.734 0 C-N-CA 123.147 0.579 . . . . 44.42 111.164 177.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 16.5 mtm . . . . . 0 CA--C 1.54 0.578 0 CA-C-O 120.734 0.302 . . . . 72.4 111.598 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.99 -50.52 3.12 Favored Glycine 0 C--N 1.348 1.229 0 C-N-CA 123.694 0.664 . . . . 61.45 111.732 -171.089 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 65.7 mtp180 -58.83 -43.16 90.62 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.842 1.257 . . . . 72.54 112.294 -176.199 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.501 ' O ' HG13 ' A' ' 31' ' ' ILE . . . -61.84 -46.1 90.93 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 123.459 0.474 . . . . 55.01 111.364 -178.598 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.571 HD23 HD12 ' A' ' 31' ' ' ILE . 21.7 mt -63.67 -34.61 78.25 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.031 0.532 . . . . 70.5 111.825 177.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -62.12 -42.51 99.31 Favored 'General case' 0 CA--C 1.546 0.797 0 O-C-N 123.328 0.392 . . . . 74.31 110.28 174.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.527 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 50.3 m-80 -67.15 -40.44 86.68 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-O 118.797 -0.62 . . . . 73.12 111.549 177.506 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.571 HD12 HD23 ' A' ' 28' ' ' LEU . 64.7 mt -63.14 -37.12 78.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 N-CA-C 109.591 -0.522 . . . . 74.21 109.591 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.52 -48.03 87.97 Favored Glycine 0 C--N 1.347 1.141 0 CA-C-N 114.79 -1.096 . . . . 74.23 112.218 173.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.54 ' O ' ' HG2' ' A' ' 37' ' ' LYS . 97.1 mt -58.53 -43.4 89.2 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 123.157 0.583 . . . . 74.13 110.506 177.084 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.527 ' HG2' ' O ' ' A' ' 30' ' ' ASN . 7.8 mm-40 -64.37 -37.93 89.26 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 124.209 1.004 . . . . 72.42 111.988 -176.691 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.44 ' HG3' ' HE2' ' A' ' 47' ' ' TYR . 33.7 mmtp -68.36 -42.27 79.42 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 116.026 -0.533 . . . . 72.4 110.005 173.74 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -64.7 -28.55 69.67 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.886 0.874 . . . . 55.33 110.69 -179.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.54 ' HG2' ' O ' ' A' ' 33' ' ' LEU . 74.5 mmtt -62.74 -41.49 99.21 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.48 0.712 . . . . 73.41 110.598 175.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.43 ' HE2' ' HA ' ' A' ' 35' ' ' LYS . 36.4 mtm -87.11 -2.27 58.5 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 115.154 -0.93 . . . . 64.45 111.225 -177.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 96.55 -6.78 65.49 Favored Glycine 0 C--N 1.348 1.207 0 CA-C-O 119.448 -0.64 . . . . 34.13 113.68 177.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -75.57 77.73 2.58 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-O 121.886 0.85 . . . . 73.33 110.432 177.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.432 ' O ' ' HB1' ' A' ' 74' ' ' ALA . . . -86.35 -23.86 26.05 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 114.568 -1.196 . . . . 61.23 112.584 -170.206 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -73.94 -39.96 63.42 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 109.563 -0.532 . . . . 60.54 109.563 176.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -66.17 -42.37 89.03 Favored 'General case' 0 C--N 1.353 0.739 0 O-C-N 123.898 0.749 . . . . 64.21 109.618 171.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.63 -54.3 39.55 Favored 'General case' 0 C--N 1.349 0.577 0 O-C-N 124.085 0.866 . . . . 61.1 110.904 179.007 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.46 ' HB1' HD23 ' A' ' 71' ' ' LEU . . . -57.69 -36.55 72.11 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 124.378 1.049 . . . . 61.11 111.587 179.083 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -66.97 -39.45 87.22 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.971 0.909 . . . . 74.12 110.572 -178.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.44 ' HE2' ' HG3' ' A' ' 35' ' ' LYS . 63.1 m-85 -71.93 -36.13 69.83 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.243 0.617 . . . . 71.22 111.663 175.23 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -66.83 -29.77 69.78 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.129 0.571 . . . . 54.32 110.849 178.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -70.13 -47.72 60.51 Favored 'General case' 0 C--N 1.343 0.31 0 O-C-N 124.11 0.882 . . . . 74.42 110.54 177.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.445 ' CB ' HD13 ' A' ' 28' ' ' LEU . 72.6 mtt180 -56.24 -46.86 79.42 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 124.161 0.913 . . . . 74.22 109.949 176.418 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.07 -44.93 95.61 Favored 'General case' 0 C--N 1.348 0.519 0 CA-C-N 114.366 -1.288 . . . . 73.12 110.549 179.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.28 -31.87 73.24 Favored 'General case' 0 N--CA 1.485 1.304 0 O-C-N 123.957 0.786 . . . . 73.01 111.913 -176.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 94.6 mt -61.68 -50.44 80.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 123.554 0.742 . . . . 73.1 109.698 173.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 51.7 t -67.88 -41.88 85.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 O-C-N 123.853 0.72 . . . . 73.01 110.987 -175.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -63.33 -47.68 81.18 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.469 0.708 . . . . 64.45 111.379 179.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.402 ' CD1' ' HB3' ' A' ' 97' ' ' TRP . 64.8 t80 -64.42 -45.5 87.29 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 123.43 0.456 . . . . 74.23 111.518 178.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 45.5 tptt -55.63 -39.47 70.87 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.55 1.14 . . . . 73.43 111.009 178.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -88.45 -9.71 51.6 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-N 115.407 -0.815 . . . . 73.43 111.165 177.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 64.4 m-70 65.44 31.91 9.95 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 125.162 1.385 . . . . 54.31 112.068 177.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -79.98 102.57 9.32 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 108.75 -0.833 . . . . 64.34 108.75 169.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 18.8 p -69.84 -25.46 63.76 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.555 0.742 . . . . 63.51 112.466 -178.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -64.79 -59.1 4.6 Favored 'General case' 0 N--CA 1.477 0.878 0 O-C-N 123.8 0.688 . . . . 65.0 109.738 -179.173 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -71.23 -31.49 66.21 Favored Glycine 0 C--N 1.342 0.861 0 CA-C-N 114.726 -1.125 . . . . 63.11 113.459 -176.07 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 65.7 tp -67.9 -42.2 81.54 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 122.927 0.491 . . . . 74.24 110.684 176.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -61.11 -44.66 97.01 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 124.028 0.931 . . . . 70.52 110.568 177.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 58.9 mtp180 -66.33 -49.77 65.83 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 114.803 -1.089 . . . . 65.4 110.632 179.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.474 ' O ' ' HB2' ' A' ' 71' ' ' LEU . . . -66.92 -31.22 71.67 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.227 0.611 . . . . 74.31 111.953 -175.419 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.469 ' HA ' ' HB1' ' A' ' 94' ' ' ALA . . . -63.91 -46.34 85.27 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.393 0.677 . . . . 62.3 111.05 176.578 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -72.95 -38.43 66.78 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 114.879 -1.055 . . . . 53.02 111.406 179.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 50.2 m -68.61 -33.29 73.79 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 123.767 0.667 . . . . 51.42 110.414 -179.021 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.474 ' HB2' ' O ' ' A' ' 67' ' ' ALA . 0.9 OUTLIER -62.81 -53.16 58.59 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.717 0.807 . . . . 74.34 109.52 179.395 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.22 -37.69 72.02 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-N 115.353 -0.84 . . . . 54.31 112.409 -173.171 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -68.67 -29.2 67.62 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 122.675 0.39 . . . . 64.02 110.412 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.432 ' HB1' ' O ' ' A' ' 41' ' ' ALA . . . -71.26 -34.71 70.96 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 115.561 -0.745 . . . . 54.21 110.745 175.672 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.816 HD13 ' HA ' ' A' ' 88' ' ' LYS . 59.9 mt -71.63 -38.93 68.8 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.254 0 C-N-CA 123.365 0.666 . . . . 63.55 111.76 179.618 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 39.4 p -71.01 -12.9 61.79 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 116.419 -0.355 . . . . 75.21 111.02 173.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -94.82 -15.67 23.57 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 123.852 0.861 . . . . 71.53 111.867 177.03 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 56.0 mt . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 108.953 -0.758 . . . . 63.2 108.953 175.501 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 . . . . . 0 N--CA 1.488 1.469 0 N-CA-C 111.425 0.157 . . . . 72.44 111.425 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -75.8 -29.05 58.59 Favored 'General case' 0 C--N 1.35 0.59 0 C-N-CA 123.305 0.642 . . . . 51.41 111.375 -173.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.816 ' HA ' HD13 ' A' ' 75' ' ' ILE . 13.8 tmtt? -65.29 -33.63 76.44 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.882 0.873 . . . . 60.1 111.342 -173.669 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -59.37 -31.79 69.53 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.838 0.855 . . . . 75.52 111.868 -178.509 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 40.7 mtm -72.84 -31.26 64.64 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.93 1.292 . . . . 71.32 111.824 -176.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.46 ' O ' ' HG2' ' A' ' 95' ' ' GLU . . . -53.92 -47.17 71.47 Favored 'General case' 0 N--CA 1.481 1.097 0 O-C-N 123.871 0.732 . . . . 73.44 110.802 177.06 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.437 ' O ' ' HG2' ' A' ' 96' ' ' GLU . 62.1 tttp -57.98 -42.72 85.69 Favored 'General case' 0 C--N 1.361 1.076 0 O-C-N 124.443 1.089 . . . . 72.31 111.027 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -58.96 -46.71 87.39 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 124.064 0.853 . . . . 75.31 110.988 -177.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.469 ' HB1' ' HA ' ' A' ' 68' ' ' ALA . . . -63.42 -35.39 80.25 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.7 0.8 . . . . 63.33 111.619 -179.484 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.466 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 10.8 mm-40 -66.21 -47.73 72.9 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.487 0.715 . . . . 64.24 111.002 175.006 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 68.0 mm-40 -56.23 -45.65 79.87 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.598 0.759 . . . . 70.44 110.986 -179.398 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . 0.402 ' HB3' ' CD1' ' A' ' 56' ' ' TYR . 44.5 m0 -68.62 -38.78 80.83 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 114.888 -1.051 . . . . 74.25 110.98 -178.114 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 30.2 tp -68.41 -34.08 75.36 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 115.783 -0.644 . . . . 71.34 111.271 -179.009 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.466 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 82.6 mm-40 -72.66 -32.04 65.53 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 122.738 0.415 . . . . 72.32 110.37 178.13 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.35 -30.91 71.96 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.429 0.692 . . . . 73.32 111.169 177.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 . . . . . 0 CA--C 1.542 0.656 0 C-N-CA 123.747 0.819 . . . . 72.11 111.193 177.135 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 28.9 mtm . . . . . 0 N--CA 1.473 0.711 0 CA-C-O 121.123 0.487 . . . . 74.55 110.869 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.97 -47.71 1.28 Allowed Glycine 0 C--N 1.346 1.096 0 N-CA-C 110.314 -1.115 . . . . 75.3 110.314 -171.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.2 ttt180 -54.85 -47.04 74.68 Favored 'General case' 0 C--N 1.354 0.761 0 C-N-CA 124.336 1.054 . . . . 73.24 110.775 174.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.406 ' O ' HG13 ' A' ' 31' ' ' ILE . . . -57.38 -39.81 76.83 Favored 'General case' 0 C--N 1.35 0.593 0 O-C-N 124.058 0.849 . . . . 74.31 112.601 -175.097 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.454 HD22 ' HD1' ' A' ' 47' ' ' TYR . 59.2 mt -65.44 -45.66 82.98 Favored 'General case' 0 N--CA 1.484 1.264 0 O-C-N 123.179 0.299 . . . . 72.23 110.529 176.621 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -57.36 -40.08 77.32 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.063 0.945 . . . . 61.31 111.078 177.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -73.48 -36.31 65.79 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.268 1.027 . . . . 70.41 111.331 -175.746 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.406 HG13 ' O ' ' A' ' 27' ' ' ALA . 90.3 mt -63.76 -44.28 98.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 N-CA-C 109.052 -0.721 . . . . 61.32 109.052 171.401 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.04 -36.43 93.45 Favored Glycine 0 C--N 1.352 1.441 0 O-C-N 124.431 1.082 . . . . 34.23 113.246 -177.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 85.5 mt -59.34 -40.51 86.58 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.072 0.549 . . . . 54.44 110.015 175.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.43 ' HA ' ' HB3' ' A' ' 37' ' ' LYS . 43.6 mm-40 -76.37 -29.16 57.05 Favored 'General case' 0 C--N 1.348 0.51 0 O-C-N 123.979 0.799 . . . . 63.15 111.947 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -66.55 -49.43 66.46 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 109.605 -0.517 . . . . 71.15 109.605 175.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -64.1 -32.52 74.11 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 123.878 0.871 . . . . 70.34 110.448 179.071 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.43 ' HB3' ' HA ' ' A' ' 34' ' ' GLU . 1.6 tmtp? -66.19 -38.65 88.53 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 124.83 1.252 . . . . 74.02 110.838 173.721 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 69.7 mtm -86.54 1.33 52.0 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 123.406 0.682 . . . . 74.41 111.656 178.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.96 0.38 89.67 Favored Glycine 0 C--N 1.347 1.194 0 N-CA-C 113.758 0.263 . . . . 74.13 113.758 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -82.49 55.34 2.9 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.923 1.289 . . . . 73.32 109.599 176.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.92 -27.52 65.83 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.535 1.134 . . . . 54.34 111.885 -171.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.67 -51.46 63.1 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 124.574 1.15 . . . . 65.21 110.798 172.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -79.99 -29.26 39.48 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 116.335 -0.393 . . . . 74.12 111.571 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.18 -53.63 55.95 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 124.094 0.871 . . . . 52.32 110.916 178.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.41 -35.14 73.43 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 124.742 1.276 . . . . 72.2 111.27 -179.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -68.16 -41.02 82.18 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 124.079 0.951 . . . . 51.12 109.817 -179.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.454 ' HD1' HD22 ' A' ' 28' ' ' LEU . 40.0 m-85 -66.83 -36.71 82.98 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.407 0.683 . . . . 73.11 111.16 175.676 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.456 ' HB2' ' HG ' ' A' ' 71' ' ' LEU . 23.5 m-85 -68.88 -32.41 72.05 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.22 0.608 . . . . 72.3 110.515 178.287 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -68.81 -51.4 41.24 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 123.741 0.651 . . . . 74.42 110.646 178.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 35.0 mtp180 -66.79 -33.07 74.81 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 123.978 0.799 . . . . 75.35 111.417 -179.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.21 -48.27 80.77 Favored 'General case' 0 C--N 1.35 0.597 0 O-C-N 123.711 0.632 . . . . 72.11 109.322 172.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.16 -34.63 73.83 Favored 'General case' 0 C--N 1.357 0.921 0 O-C-N 124.41 1.068 . . . . 53.03 111.515 -179.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 83.8 mt -57.5 -52.77 52.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 O-C-N 124.0 0.813 . . . . 63.33 110.111 174.318 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.445 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 41.0 t -64.09 -44.44 97.68 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 123.095 0.558 . . . . 62.03 110.764 -176.593 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -65.22 -29.97 70.81 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.172 0.589 . . . . 72.3 111.622 178.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 44.6 t80 -72.16 -42.58 65.76 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.208 0.603 . . . . 74.41 110.279 176.184 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -56.8 -37.06 70.63 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.974 0.91 . . . . 74.23 111.393 171.422 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' A' ' 54' ' ' VAL . 24.4 mm-40 -85.75 -11.78 52.72 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 115.969 -0.56 . . . . 71.01 111.652 179.068 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 60.19 28.18 17.74 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.926 1.29 . . . . 71.41 111.421 -177.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -81.88 94.35 7.07 Favored 'General case' 0 C--O 1.242 0.7 0 C-N-CA 125.75 1.62 . . . . 74.2 108.593 176.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 24.3 p -64.25 -25.76 68.2 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.838 0.855 . . . . 51.14 112.379 -177.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -59.76 -59.19 5.84 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 122.808 0.443 . . . . 75.13 110.896 176.234 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -75.3 -37.17 42.75 Favored Glycine 0 C--N 1.335 0.478 0 CA-C-N 115.066 -0.97 . . . . 74.43 113.408 -172.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 53.4 tp -61.72 -49.18 77.48 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.288 0.635 . . . . 75.01 110.329 178.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.416 ' O ' ' HG3' ' A' ' 69' ' ' LYS . 37.4 ttt180 -63.33 -46.36 86.97 Favored 'General case' 0 C--N 1.353 0.725 0 O-C-N 124.239 0.962 . . . . 54.42 110.12 179.635 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -65.53 -34.33 78.01 Favored 'General case' 0 CA--C 1.543 0.697 0 O-C-N 124.168 0.918 . . . . 74.31 111.005 -176.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.486 ' O ' ' HB2' ' A' ' 71' ' ' LEU . . . -71.76 -36.53 70.42 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.237 0.615 . . . . 72.34 110.283 178.204 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.08 -41.76 85.8 Favored 'General case' 0 N--CA 1.483 1.194 0 O-C-N 124.124 0.89 . . . . 75.24 110.995 175.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' A' ' 65' ' ' ARG . 29.5 mtpp -60.63 -48.25 82.6 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.326 1.05 . . . . 75.22 110.811 176.358 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.7 t -71.52 -30.01 65.44 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.493 0.717 . . . . 42.33 110.368 -177.254 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.486 ' HB2' ' O ' ' A' ' 67' ' ' ALA . 0.5 OUTLIER -62.26 -54.49 40.05 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 124.345 1.058 . . . . 71.21 110.069 -177.884 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.525 ' HA ' HD12 ' A' ' 75' ' ' ILE . 21.8 pttp -64.02 -30.82 71.86 Favored 'General case' 0 N--CA 1.481 1.096 0 O-C-N 123.866 0.729 . . . . 73.02 111.569 -176.458 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -72.81 -36.24 67.51 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.753 0.821 . . . . 75.25 110.391 178.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.456 ' O ' HG13 ' A' ' 78' ' ' ILE . . . -67.23 -37.57 83.8 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.872 -0.604 . . . . 73.34 110.2 174.288 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.873 HD13 ' HA ' ' A' ' 88' ' ' LYS . 65.4 mt -66.31 -41.21 88.6 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 C-N-CA 123.497 0.719 . . . . 71.15 111.665 -177.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 50.7 p -62.26 -25.3 67.76 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 123.52 0.513 . . . . 64.13 110.793 174.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.89 -19.9 22.83 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.898 0.879 . . . . 71.31 112.439 178.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 74' ' ' ALA . 66.7 mt . . . . . 0 N--CA 1.49 1.568 0 CA-C-N 118.452 0.569 . . . . 71.23 110.055 -179.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 . . . . . 0 N--CA 1.482 1.159 0 CA-C-O 121.295 0.569 . . . . 73.2 110.491 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -75.16 -25.41 58.32 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 114.865 -1.061 . . . . 42.12 111.795 -176.187 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.873 ' HA ' HD13 ' A' ' 75' ' ' ILE . 57.0 tttp -65.08 -34.24 77.95 Favored 'General case' 0 C--N 1.351 0.674 0 C-N-CA 123.634 0.773 . . . . 73.22 111.134 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.494 ' HA ' ' HD3' ' A' ' 92' ' ' LYS . 78.4 mm-40 -59.24 -28.62 66.86 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.447 1.099 . . . . 75.35 112.103 178.161 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 54.3 mtm -68.98 -39.64 79.29 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.195 0.598 . . . . 74.33 111.511 -178.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.27 -39.6 95.05 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.019 0.527 . . . . 53.0 110.067 174.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.494 ' HD3' ' HA ' ' A' ' 89' ' ' GLU . 55.8 mtpt -64.83 -40.25 94.88 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 114.679 -1.146 . . . . 64.42 110.713 177.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 34.2 mmtm -62.62 -46.98 85.78 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.541 0.736 . . . . 73.35 110.667 178.106 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.83 -31.46 72.1 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 124.254 0.971 . . . . 75.24 111.635 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.407 ' O ' ' HG3' ' A' ' 99' ' ' GLN . 3.0 tm-20 -75.54 -33.72 60.71 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.136 0.974 . . . . 63.31 110.05 177.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -65.42 -42.64 92.29 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.433 0.693 . . . . 75.23 110.353 175.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 34.9 m0 -65.83 -37.35 85.99 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 115.663 -0.698 . . . . 73.21 110.428 177.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 51.7 tp -58.65 -43.76 89.89 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 124.198 0.936 . . . . 72.14 110.659 177.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.407 ' HG3' ' O ' ' A' ' 95' ' ' GLU . 71.1 mt-30 -60.71 -46.03 91.95 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.693 0.797 . . . . 73.22 110.561 176.099 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.62 -28.58 69.47 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.039 0.936 . . . . 74.21 111.92 -179.108 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 . . . . . 0 N--CA 1.475 0.82 0 C-N-CA 123.7 0.8 . . . . 72.2 112.802 179.537 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.554 1.125 0 N-CA-C 110.329 -0.249 . . . . 64.2 110.329 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.668 ' HB3' ' HB ' ' A' ' 5' ' ' ILE . 3.0 m-20 78.62 -49.41 0.45 Allowed 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 125.825 1.65 . . . . 64.55 113.066 174.599 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 60.45 -88.03 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 125.189 1.396 . . . . 73.43 112.153 172.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 -65.76 -43.0 90.22 Favored 'General case' 0 C--N 1.354 0.771 0 C-N-CA 123.868 0.867 . . . . 72.11 109.572 -179.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.668 ' HB ' ' HB3' ' A' ' 2' ' ' ASP . 85.9 mt -56.47 -47.08 82.25 Favored 'Isoleucine or valine' 0 C--N 1.353 0.721 0 O-C-N 124.431 1.082 . . . . 72.5 110.99 178.544 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.17 -37.75 69.99 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 124.38 1.05 . . . . 61.44 111.199 -176.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -69.44 -44.29 71.59 Favored 'General case' 0 CA--C 1.549 0.904 0 CA-C-N 115.137 -0.938 . . . . 55.52 110.645 174.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.557 ' HA ' ' HB3' ' A' ' 11' ' ' ALA . 28.0 m-85 -69.05 -20.1 64.1 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.798 0.839 . . . . 64.54 112.754 -178.505 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' A' ' 5' ' ' ILE . 48.4 mt-10 -67.76 -25.68 65.74 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 122.684 0.394 . . . . 73.44 110.353 173.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 38.3 mtmm -98.03 -21.21 16.93 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.163 0.985 . . . . 72.11 111.19 175.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.557 ' HB3' ' HA ' ' A' ' 8' ' ' PHE . . . -81.93 -34.69 29.74 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.167 0.587 . . . . 74.44 110.668 179.403 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.593 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 2.8 t80 -85.82 99.22 11.22 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 107.53 -1.285 . . . . 75.32 107.53 175.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.429 ' HG2' ' SD ' ' A' ' 24' ' ' MET . 46.0 pttt -80.74 177.77 8.81 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 122.927 0.491 . . . . 71.21 109.794 173.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 41.4 mtmt -66.4 87.57 0.12 Allowed 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 122.807 0.443 . . . . 74.24 110.941 -175.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.75 -30.13 40.72 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.002 0.921 . . . . 61.44 111.706 -178.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -94.48 19.95 9.02 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.638 0.775 . . . . 71.43 111.784 -168.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -150.92 18.2 0.78 Allowed 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.436 0.695 . . . . 74.2 110.408 173.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.705 HD12 ' HG2' ' A' ' 20' ' ' GLN . 0.3 OUTLIER -149.27 153.32 37.36 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 107.061 -1.459 . . . . 73.11 107.061 -173.854 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.45 ' H ' HD13 ' A' ' 18' ' ' LEU . 5.4 m-20 -83.51 39.62 0.68 Allowed 'General case' 0 N--CA 1.486 1.333 0 CA-C-O 121.192 0.52 . . . . 65.05 111.741 -179.347 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.705 ' HG2' HD12 ' A' ' 18' ' ' LEU . 30.8 mm-40 -115.75 120.16 38.4 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 106.94 -1.504 . . . . 64.22 106.94 168.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -137.81 -51.69 0.06 OUTLIER Glycine 0 N--CA 1.477 1.376 0 CA-C-N 118.119 0.418 . . . . 50.32 112.718 -176.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.36 -27.54 67.47 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 124.236 1.014 . . . . 62.01 112.555 -179.084 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.4 mt -68.97 -21.56 64.16 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 124.125 0.97 . . . . 63.41 111.28 177.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.429 ' SD ' ' HG2' ' A' ' 13' ' ' LYS . 23.1 mtm -129.88 -156.66 0.77 Allowed 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.384 1.074 . . . . 60.12 109.697 -175.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.65 -60.04 4.78 Favored Glycine 0 C--N 1.345 1.057 0 N-CA-C 110.722 -0.951 . . . . 63.33 110.722 -168.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.2 ttt85 -62.41 -24.5 67.44 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.89 1.276 . . . . 74.34 111.664 178.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.593 ' HB3' ' HD2' ' A' ' 12' ' ' TYR . . . -69.43 -44.53 71.15 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-O 119.212 -0.423 . . . . 63.43 110.577 174.124 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.486 ' HG ' ' CE2' ' A' ' 12' ' ' TYR . 13.6 mt -64.75 -36.15 83.39 Favored 'General case' 0 N--CA 1.488 1.469 0 CA-C-N 117.707 0.23 . . . . 74.1 110.679 173.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.451 ' CZ ' ' HG2' ' A' ' 66' ' ' ARG . 85.7 t80 -60.59 -44.09 96.62 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 123.688 0.618 . . . . 71.35 109.951 176.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -69.95 -38.35 76.13 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.096 0.558 . . . . 71.11 110.503 -177.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.413 HD12 HD23 ' A' ' 28' ' ' LEU . 83.4 mt -61.57 -41.25 89.47 Favored 'Isoleucine or valine' 0 C--N 1.358 0.968 0 C-N-CA 123.448 0.699 . . . . 62.55 109.623 173.596 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.98 -44.23 97.4 Favored Glycine 0 C--N 1.351 1.384 0 CA-C-N 114.979 -1.009 . . . . 74.43 112.174 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.443 ' O ' ' HG3' ' A' ' 37' ' ' LYS . 89.9 mt -54.83 -49.78 70.22 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.162 0.585 . . . . 72.43 110.002 175.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.443 ' HB2' HD11 ' A' ' 5' ' ' ILE . 31.9 mm-40 -61.84 -39.68 92.68 Favored 'General case' 0 CA--C 1.546 0.818 0 O-C-N 124.116 0.885 . . . . 71.03 112.208 -178.252 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.503 ' HE2' HD13 ' A' ' 5' ' ' ILE . 75.6 mmtt -60.64 -43.64 97.34 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 122.789 0.436 . . . . 51.41 110.223 179.259 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -69.55 -34.51 74.31 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.849 0.86 . . . . 74.33 110.603 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.443 ' HG3' ' O ' ' A' ' 33' ' ' LEU . 29.9 mtpp -66.1 -28.77 69.07 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 123.603 0.761 . . . . 74.51 111.204 177.054 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 68.5 mtm -92.05 1.83 56.95 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.421 0.688 . . . . 75.15 111.605 177.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 101.95 -27.33 20.88 Favored Glycine 0 C--N 1.35 1.318 0 N-CA-C 113.753 0.261 . . . . 63.55 113.753 174.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.2 mtmp? -83.78 76.11 10.03 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-O 121.423 0.63 . . . . 75.23 110.265 -176.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.76 -2.52 39.88 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.298 -0.865 . . . . 40.41 112.738 -175.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.439 ' O ' ' HG2' ' A' ' 46' ' ' GLU . 4.9 tpt180 -69.51 -55.5 10.04 Favored 'General case' 0 C--N 1.359 0.984 0 N-CA-C 109.937 -0.394 . . . . 74.21 109.937 175.522 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -62.73 -33.63 75.53 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 123.6 0.563 . . . . 75.43 110.184 177.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.56 -54.09 42.32 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 124.197 0.936 . . . . 62.02 111.225 173.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.61 -40.95 96.65 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.309 1.006 . . . . 75.31 111.412 -178.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' A' ' 42' ' ' ARG . 23.1 mm-40 -58.77 -46.56 87.24 Favored 'General case' 0 N--CA 1.479 1.012 0 O-C-N 123.907 0.755 . . . . 74.0 110.697 178.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -70.87 -32.5 69.51 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.622 -0.717 . . . . 71.22 112.054 -177.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -66.77 -33.19 75.08 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 123.623 0.577 . . . . 74.4 110.414 175.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -73.6 -50.69 19.87 Favored 'General case' 0 C--N 1.349 0.56 0 C-N-CA 123.23 0.612 . . . . 65.51 111.002 178.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.418 ' O ' HG23 ' A' ' 54' ' ' VAL . 58.7 mtp180 -64.57 -34.44 78.26 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.296 0.638 . . . . 74.53 110.287 -179.117 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.34 -46.4 83.64 Favored 'General case' 0 C--N 1.349 0.575 0 O-C-N 123.844 0.715 . . . . 55.01 109.805 172.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.4 -32.43 72.37 Favored 'General case' 0 C--N 1.355 0.837 0 O-C-N 124.039 0.837 . . . . 64.34 111.763 -178.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 85.7 mt -64.73 -44.73 96.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 123.241 0.616 . . . . 74.33 109.925 174.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 50' ' ' ARG . 70.6 t -63.33 -47.4 92.15 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.825 0 C-N-CA 123.351 0.66 . . . . 74.05 110.583 179.202 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -61.68 -40.69 95.86 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.506 0.722 . . . . 63.25 110.937 178.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -60.72 -50.53 73.09 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.963 0.905 . . . . 73.01 111.297 -179.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -61.78 -38.95 89.95 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.401 0.681 . . . . 75.42 112.015 176.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -84.49 -4.11 58.76 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 122.512 0.325 . . . . 70.31 111.707 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 59.48 29.28 18.82 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.785 1.234 . . . . 73.34 111.776 178.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -79.95 86.13 5.49 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.001 1.32 . . . . 61.11 107.838 176.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.87 -36.86 77.78 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.317 1.047 . . . . 74.22 112.884 -175.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -60.93 -57.44 12.64 Favored 'General case' 0 C--N 1.352 0.682 0 O-C-N 123.712 0.633 . . . . 72.41 110.074 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -65.75 -34.48 88.93 Favored Glycine 0 C--N 1.337 0.611 0 O-C-N 124.309 1.006 . . . . 70.2 113.233 -178.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 63.7 tp -67.23 -40.98 86.41 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.169 0.588 . . . . 72.2 110.368 178.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 44.8 ttm180 -68.54 -36.99 79.57 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.186 0.994 . . . . 74.24 110.207 177.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.451 ' HG2' ' CZ ' ' A' ' 29' ' ' TYR . 60.6 ttm-85 -73.8 -36.26 64.98 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 114.333 -1.303 . . . . 74.11 110.253 -177.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.483 ' O ' ' HB2' ' A' ' 71' ' ' LEU . . . -75.2 -41.11 58.53 Favored 'General case' 0 C--O 1.219 -0.541 0 CA-C-N 115.274 -0.875 . . . . 41.34 110.185 179.187 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.33 -45.82 92.84 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 124.466 1.104 . . . . 45.22 111.182 178.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.404 ' HB3' ' HE2' ' A' ' 69' ' ' LYS . 34.1 ttpt -61.6 -51.04 70.17 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 114.136 -1.393 . . . . 75.32 110.845 -179.082 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 50.4 m -70.14 -28.25 65.2 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.607 0.763 . . . . 73.23 111.644 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.483 ' HB2' ' O ' ' A' ' 67' ' ' ALA . 0.6 OUTLIER -60.44 -56.13 25.15 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.622 0.769 . . . . 72.23 109.943 -176.507 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.534 ' HA ' HD12 ' A' ' 75' ' ' ILE . 25.2 pttm -63.59 -31.3 72.43 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 124.06 0.85 . . . . 74.23 111.994 -173.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.533 ' HG3' ' HG3' ' A' ' 72' ' ' LYS . 41.6 mt-10 -87.26 -22.31 25.26 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.692 0.797 . . . . 71.02 111.554 -176.006 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.02 -31.31 61.34 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 110.014 -0.365 . . . . 73.34 110.014 170.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.844 HD13 ' HA ' ' A' ' 88' ' ' LYS . 70.2 mt -66.43 -42.08 89.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 124.185 0.994 . . . . 71.14 111.824 179.234 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 82.6 p -70.0 -16.38 63.17 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 116.187 -0.46 . . . . 74.35 110.631 177.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -99.64 -0.08 40.99 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 124.238 1.015 . . . . 64.54 112.192 179.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 59.3 mt -65.07 130.59 94.9 Favored Pre-proline 0 N--CA 1.489 1.487 0 C-N-CA 122.987 0.515 . . . . 73.32 110.587 178.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -73.41 -160.31 0.09 OUTLIER 'Trans proline' 0 C--N 1.382 2.333 0 C-N-CA 123.249 2.633 . . . . 74.52 113.035 178.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -58.87 161.21 5.08 Favored 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 123.773 0.829 . . . . 70.4 110.96 179.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 62.13 24.61 14.67 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.401 0.68 . . . . 73.23 110.201 -164.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -52.51 102.99 0.06 Allowed 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.41 1.084 . . . . 73.12 109.839 175.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -59.27 -32.04 71.07 Favored Glycine 0 C--N 1.351 1.372 0 CA-C-N 115.062 -0.972 . . . . 55.2 114.175 -171.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 59.78 -83.83 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.974 1.31 . . . . 65.03 111.886 176.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -72.84 4.6 3.95 Favored 'General case' 0 CA--C 1.558 1.286 0 C-N-CA 123.406 0.683 . . . . 75.42 112.238 -174.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -112.66 -55.44 2.52 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 123.008 0.523 . . . . 64.42 110.377 171.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -76.08 -39.38 55.48 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 122.922 0.489 . . . . 51.4 111.726 -171.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.844 ' HA ' HD13 ' A' ' 75' ' ' ILE . 14.9 tmtt? -70.63 -32.58 69.95 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.424 0.689 . . . . 71.22 111.457 -175.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -65.24 -27.44 68.66 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.809 0.843 . . . . 53.11 112.004 178.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 39.5 mtm -62.53 -34.95 77.94 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.387 0.675 . . . . 52.22 111.746 176.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.427 ' O ' ' HG2' ' A' ' 95' ' ' GLU . . . -62.44 -42.84 99.75 Favored 'General case' 0 C--N 1.348 0.508 0 O-C-N 123.59 0.556 . . . . 63.44 109.842 174.111 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.511 ' O ' ' HG2' ' A' ' 96' ' ' GLU . 7.7 mtpm? -63.58 -35.55 80.89 Favored 'General case' 0 C--N 1.353 0.759 0 O-C-N 124.356 1.035 . . . . 74.11 111.191 178.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -60.62 -49.96 75.42 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.26 0.624 . . . . 72.32 110.474 174.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.83 -29.53 70.49 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 114.82 -1.082 . . . . 74.21 111.628 -178.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 91' ' ' ALA . 75.6 mm-40 -60.95 -51.55 68.79 Favored 'General case' 0 C--N 1.357 0.911 0 C-N-CA 123.225 0.61 . . . . 73.01 110.224 171.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.511 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 23.6 mm-40 -63.46 -41.74 98.62 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 115.422 -0.808 . . . . 74.21 111.593 -174.008 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 48.1 m0 -63.81 -46.31 85.72 Favored 'General case' 0 C--N 1.345 0.409 0 O-C-N 124.086 0.866 . . . . 72.25 110.11 179.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.437 ' O ' ' HG2' ' A' ' 102' ' ' GLN . 47.4 tp -63.48 -48.32 78.14 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 124.12 0.888 . . . . 74.12 111.763 -176.029 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -66.01 -36.37 83.09 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.001 0.52 . . . . 71.15 111.259 -177.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.38 -29.6 62.73 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 116.025 -0.534 . . . . 43.31 110.818 178.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 -65.43 -30.61 71.43 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 122.965 0.506 . . . . 62.53 110.72 173.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.437 ' HG2' ' O ' ' A' ' 98' ' ' LEU . 65.7 mm-40 -82.9 -71.87 0.47 Allowed 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 109.838 -0.43 . . . . 75.13 109.838 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 65.7 t30 52.24 33.21 12.09 Favored 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 124.474 1.109 . . . . 75.34 111.655 176.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 48.7 t30 . . . . . 0 C--O 1.248 1.01 0 C-N-CA 123.921 0.888 . . . . 72.11 109.695 -175.978 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.871 0 CA-C-O 121.047 0.451 . . . . 72.3 109.793 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -116.85 20.74 13.76 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 124.13 0.972 . . . . 74.4 110.098 173.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -65.12 -47.08 78.41 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.864 1.265 . . . . 72.11 109.906 -177.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -74.25 -40.72 62.18 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.907 0.883 . . . . 73.42 109.662 177.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.459 HD11 ' HB2' ' A' ' 34' ' ' GLU . 53.4 mt -59.21 -38.44 74.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 124.459 1.104 . . . . 61.21 112.223 -176.704 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.16 -29.03 67.13 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.705 0.802 . . . . 71.21 111.709 -178.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -76.78 -40.87 46.76 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.621 0.768 . . . . 44.22 110.048 176.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -68.74 -21.04 64.4 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.367 0.667 . . . . 62.42 111.591 178.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -64.36 -51.17 64.66 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.158 0.583 . . . . 74.0 110.345 172.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -67.11 -30.82 70.93 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 115.707 -0.679 . . . . 71.3 110.308 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.1 -38.73 75.72 Favored 'General case' 0 C--O 1.24 0.578 0 C-N-CA 123.654 0.782 . . . . 72.34 110.896 176.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.645 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 2.9 t80 -93.95 96.44 9.71 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-O 121.855 0.836 . . . . 74.3 110.761 -174.574 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -90.54 25.93 2.14 Favored 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 125.374 1.47 . . . . 54.23 112.262 -178.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 69.95 116.47 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.675 0 C-N-CA 124.633 1.173 . . . . 74.15 111.125 -178.539 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.423 ' HB1' ' HA2' ' A' ' 21' ' ' GLY . . . -114.09 19.89 16.09 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.298 0.639 . . . . 74.21 111.811 -175.124 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -106.87 -60.98 1.6 Allowed 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.563 0.745 . . . . 51.12 109.274 -178.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -62.36 -35.97 80.8 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 115.253 -0.885 . . . . 74.22 110.507 175.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 56.2 mt -89.43 135.41 33.61 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 108.256 -1.016 . . . . 64.2 108.256 172.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -71.14 -18.17 62.52 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.275 0.63 . . . . 71.25 110.014 174.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -58.87 115.64 3.24 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.653 1.181 . . . . 73.41 109.11 169.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.423 ' HA2' ' HB1' ' A' ' 15' ' ' ALA . . . -122.0 -43.12 0.42 Allowed Glycine 0 N--CA 1.474 1.218 0 N-CA-C 111.736 -0.546 . . . . 73.1 111.736 -179.482 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.65 -31.33 66.19 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 124.897 1.279 . . . . 75.34 112.85 -179.279 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.459 ' HB2' ' SD ' ' A' ' 24' ' ' MET . 72.1 mt -68.79 -26.58 65.27 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 115.688 -0.687 . . . . 73.11 111.088 -179.559 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.459 ' SD ' ' HB2' ' A' ' 23' ' ' LEU . 4.1 mpp? -123.21 -114.07 0.31 Allowed 'General case' 0 CA--C 1.562 1.437 0 C-N-CA 123.976 0.91 . . . . 60.24 109.725 -179.113 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.76 -80.4 0.05 OUTLIER Glycine 0 C--N 1.368 2.342 0 C-N-CA 124.177 0.894 . . . . 40.14 114.338 -177.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 28.0 mmt180 -55.1 -31.12 60.98 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 125.399 1.48 . . . . 72.11 113.184 -175.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.645 ' HB3' ' HD2' ' A' ' 12' ' ' TYR . . . -61.7 -37.25 83.47 Favored 'General case' 0 CA--C 1.551 0.996 0 CA-C-O 119.025 -0.512 . . . . 73.21 112.021 -176.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.717 HD23 HD12 ' A' ' 31' ' ' ILE . 15.4 mt -70.35 -33.72 71.79 Favored 'General case' 0 N--CA 1.491 1.575 0 CA-C-N 118.123 0.42 . . . . 64.41 111.451 176.115 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -60.8 -42.31 97.37 Favored 'General case' 0 CA--C 1.548 0.866 0 O-C-N 123.799 0.687 . . . . 75.42 110.11 178.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -66.63 -35.65 80.68 Favored 'General case' 0 N--CA 1.483 1.214 0 O-C-N 123.655 0.597 . . . . 63.0 111.688 178.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.717 HD12 HD23 ' A' ' 28' ' ' LEU . 91.9 mt -64.58 -42.54 95.43 Favored 'Isoleucine or valine' 0 C--N 1.354 0.775 0 N-CA-C 109.223 -0.658 . . . . 60.41 109.223 177.438 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.94 -40.6 99.49 Favored Glycine 0 C--N 1.353 1.527 0 CA-C-N 115.35 -0.841 . . . . 64.41 112.924 178.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.2 mt -57.65 -46.72 83.84 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.305 0.642 . . . . 71.11 110.298 177.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.459 ' HB2' HD11 ' A' ' 5' ' ' ILE . 25.5 mm-40 -61.47 -42.16 98.35 Favored 'General case' 0 N--CA 1.476 0.854 0 O-C-N 124.114 0.884 . . . . 75.22 111.419 179.128 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.444 ' HG2' ' O ' ' A' ' 31' ' ' ILE . 75.6 mmtt -61.23 -45.48 94.36 Favored 'General case' 0 N--CA 1.478 0.948 0 O-C-N 123.749 0.655 . . . . 72.5 110.304 179.146 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -65.22 -34.9 79.46 Favored 'General case' 0 N--CA 1.482 1.134 0 O-C-N 123.913 0.758 . . . . 74.14 110.394 -177.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.19 -28.22 63.06 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.733 0.813 . . . . 71.51 112.124 177.05 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 78.4 mtm -85.22 -0.96 56.3 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.339 0.656 . . . . 73.42 111.468 176.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.76 1.33 89.3 Favored Glycine 0 C--N 1.355 1.595 0 O-C-N 122.966 0.167 . . . . 65.34 113.051 -176.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -84.74 61.85 7.02 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.697 1.199 . . . . 62.15 109.342 177.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.506 ' HB1' ' O ' ' A' ' 74' ' ' ALA . . . -67.74 -19.44 65.13 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 114.021 -1.445 . . . . 72.03 112.351 -173.14 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 25.4 tpt85 -66.03 -51.9 54.09 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.745 0.818 . . . . 50.12 110.343 176.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -71.3 -31.6 67.62 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 116.457 -0.338 . . . . 74.42 110.384 176.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.35 -55.25 37.27 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 123.275 0.359 . . . . 60.24 110.421 178.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.42 -44.11 84.36 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 124.675 1.234 . . . . 60.32 111.722 -175.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.466 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 12.0 pt-20 -71.68 -35.38 70.27 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 119.199 -0.429 . . . . 65.05 111.566 -177.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.446 ' CD1' HD22 ' A' ' 28' ' ' LEU . 19.1 m-85 -69.15 -31.89 70.86 Favored 'General case' 0 N--CA 1.484 1.226 0 CA-C-N 118.353 0.524 . . . . 74.43 111.621 178.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -66.76 -38.09 85.9 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 123.907 0.754 . . . . 71.32 110.007 170.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -68.95 -46.66 67.63 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.659 0.784 . . . . 64.1 111.994 -178.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.466 ' HG3' ' O ' ' A' ' 46' ' ' GLU . 61.9 mtt-85 -62.96 -42.68 99.89 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.239 1.015 . . . . 65.42 109.684 -178.088 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.23 -39.73 89.78 Favored 'General case' 0 C--N 1.351 0.664 0 CA-C-N 114.485 -1.234 . . . . 71.34 110.176 175.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.6 -32.14 73.09 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.642 0.777 . . . . 73.22 112.017 -177.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 84.3 mt -62.49 -39.54 84.81 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.267 0 C-N-CA 123.556 0.742 . . . . 62.41 110.336 174.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.476 ' HA ' ' HE3' ' A' ' 57' ' ' LYS . 40.4 t -72.76 -37.72 56.04 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.596 0 C-N-CA 123.938 0.895 . . . . 72.02 110.442 -179.039 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -72.07 -28.36 63.27 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 115.833 -0.621 . . . . 75.41 110.762 175.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -75.17 -48.52 23.21 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.385 0.674 . . . . 73.11 111.06 -179.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.476 ' HE3' ' HA ' ' A' ' 54' ' ' VAL . 18.1 ptpt -63.34 -35.28 79.87 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 116.098 -0.501 . . . . 63.3 111.514 -178.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -86.31 -10.08 55.17 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.045 0.538 . . . . 73.53 111.296 176.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 65.62 29.22 11.04 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 124.386 1.075 . . . . 74.11 112.471 177.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -80.06 94.5 5.96 Favored 'General case' 0 C--N 1.346 0.449 0 N-CA-C 108.565 -0.902 . . . . 73.11 108.565 172.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 20.5 p -63.37 -27.97 69.68 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 114.879 -1.055 . . . . 51.13 112.283 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -64.79 -57.69 8.23 Favored 'General case' 0 C--N 1.35 0.618 0 O-C-N 123.9 0.75 . . . . 74.3 110.08 -176.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -67.8 -36.74 87.66 Favored Glycine 0 C--N 1.342 0.863 0 O-C-N 124.454 1.096 . . . . 64.43 112.894 178.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 61.2 tp -62.43 -36.76 83.41 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 123.366 0.666 . . . . 72.31 110.594 178.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 37.4 ttt180 -72.48 -43.65 63.4 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.833 0.853 . . . . 62.54 110.039 178.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.7 mmt180 -59.25 -44.1 92.39 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 124.049 0.843 . . . . 63.23 110.919 177.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.501 ' O ' ' HB2' ' A' ' 71' ' ' LEU . . . -71.36 -45.32 63.19 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 115.057 -0.974 . . . . 72.03 110.287 -178.059 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.43 -43.66 96.83 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.665 0.786 . . . . 55.15 111.95 -178.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.466 ' O ' ' HG2' ' A' ' 73' ' ' GLU . 11.1 tmtt? -66.42 -51.56 55.67 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 115.027 -0.988 . . . . 72.44 108.698 -177.383 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.2 t -67.41 -27.88 67.45 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 123.274 0.629 . . . . 74.5 111.293 -177.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.501 ' HB2' ' O ' ' A' ' 67' ' ' ALA . 1.5 tt -58.99 -56.53 21.01 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 124.563 1.145 . . . . 72.23 109.984 -178.379 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.552 ' HA ' HD12 ' A' ' 75' ' ' ILE . 14.4 ptmm? -68.49 -30.36 69.18 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 115.506 -0.77 . . . . 60.03 111.765 -177.027 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.466 ' HG2' ' O ' ' A' ' 69' ' ' LYS . 11.2 mm-40 -72.65 -26.77 61.77 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.396 0.678 . . . . 73.32 111.275 178.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.506 ' O ' ' HB1' ' A' ' 41' ' ' ALA . . . -71.96 -39.59 69.25 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-O 120.914 0.388 . . . . 73.24 110.003 172.188 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.748 HD13 ' HA ' ' A' ' 88' ' ' LYS . 77.9 mt -64.93 -32.22 57.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 C-N-CA 124.018 0.927 . . . . 74.12 112.99 -174.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 63.1 p -64.25 -20.51 66.1 Favored 'General case' 0 CA--C 1.554 1.123 0 CA-C-O 120.825 0.345 . . . . 74.11 111.286 175.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -104.59 4.16 32.54 Favored 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 124.185 0.994 . . . . 73.11 112.48 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 64.6 mt -79.05 133.59 61.01 Favored Pre-proline 0 N--CA 1.488 1.428 0 N-CA-C 109.426 -0.583 . . . . 75.15 109.426 174.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -64.21 151.12 86.69 Favored 'Trans proline' 0 C--N 1.385 2.485 0 C-N-CA 122.659 2.239 . . . . 74.23 111.628 173.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.525 ' HA ' ' HG3' ' A' ' 84' ' ' ARG . 49.4 mt-10 -59.81 -25.71 65.18 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 123.835 0.854 . . . . 64.33 112.478 -178.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -83.18 98.16 9.22 Favored 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 123.865 0.866 . . . . 40.42 109.758 176.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 71.81 147.67 0.08 Allowed 'General case' 0 CA--C 1.568 1.651 0 C-N-CA 124.968 1.307 . . . . 73.53 110.825 175.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 95.34 -30.9 7.59 Favored Glycine 0 C--N 1.353 1.522 0 O-C-N 121.811 -0.556 . . . . 55.53 113.697 -177.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.525 ' HG3' ' HA ' ' A' ' 80' ' ' GLU . 10.2 mmm180 -72.34 -37.53 68.83 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.151 0.58 . . . . 75.22 111.165 -175.044 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -71.21 -59.72 2.62 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 115.945 -0.571 . . . . 72.41 109.893 177.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -67.35 -63.09 1.13 Allowed 'General case' 0 C--O 1.246 0.885 0 CA-C-N 115.635 -0.711 . . . . 75.31 111.568 -174.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.449 ' HA ' ' HE2' ' A' ' 90' ' ' MET . . . -65.63 -35.07 79.74 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 112.655 0.613 . . . . 73.0 112.655 -166.165 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.748 ' HA ' HD13 ' A' ' 75' ' ' ILE . 55.1 tttp -65.38 -37.94 88.51 Favored 'General case' 0 C--N 1.353 0.755 0 O-C-N 123.427 0.454 . . . . 75.21 111.003 -179.681 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -66.39 -33.13 75.02 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 123.624 0.77 . . . . 75.25 109.502 176.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.449 ' HE2' ' HA ' ' A' ' 87' ' ' ALA . 58.9 mtm -69.41 -32.47 71.47 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.104 0.562 . . . . 63.41 111.266 178.283 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.41 ' O ' ' HG2' ' A' ' 95' ' ' GLU . . . -64.3 -38.02 89.54 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 122.359 0.263 . . . . 42.5 110.449 169.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.444 ' O ' ' HG2' ' A' ' 96' ' ' GLU . 51.9 mtpt -63.89 -37.82 88.82 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 123.822 0.701 . . . . 71.32 110.465 178.359 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 39.4 mmtm -63.34 -43.15 98.55 Favored 'General case' 0 N--CA 1.481 1.111 0 O-C-N 123.69 0.619 . . . . 60.21 110.188 174.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.34 -31.73 73.0 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.023 -0.989 . . . . 73.11 111.328 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.482 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 68.1 mm-40 -64.33 -51.44 63.42 Favored 'General case' 0 C--N 1.359 1.01 0 O-C-N 123.754 0.659 . . . . 72.2 109.247 172.269 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 28.3 mm-40 -55.94 -46.48 78.51 Favored 'General case' 0 N--CA 1.479 1.009 0 O-C-N 124.098 0.874 . . . . 71.31 111.36 -176.17 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 47.9 m0 -66.43 -46.68 75.66 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 123.95 0.781 . . . . 64.43 111.026 -178.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.454 ' O ' ' HG2' ' A' ' 102' ' ' GLN . 34.2 tp -60.86 -41.57 96.19 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 124.032 0.833 . . . . 60.14 110.953 -177.559 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.482 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 63.9 mm-40 -75.6 -30.96 59.76 Favored 'General case' 0 N--CA 1.479 1.017 0 O-C-N 123.858 0.724 . . . . 73.31 110.693 179.589 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.59 -33.55 76.18 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.16 0.584 . . . . 72.32 110.498 178.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -75.99 -19.7 58.49 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 115.447 -0.797 . . . . 74.24 112.131 178.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.454 ' HG2' ' O ' ' A' ' 98' ' ' LEU . 74.6 mm-40 -78.2 149.97 33.59 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.452 0.701 . . . . 73.5 109.229 177.528 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -57.01 112.13 1.25 Allowed 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.775 0.83 . . . . 64.1 111.992 -177.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 45.6 t30 . . . . . 0 CA--C 1.562 1.413 0 O-C-N 124.6 1.187 . . . . 74.44 109.879 177.833 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.029 0 N-CA-C 109.788 -0.449 . . . . 73.42 109.788 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 31.9 t70 60.86 100.45 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.982 1.313 . . . . 64.13 111.645 -178.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -146.56 -37.73 0.23 Allowed 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.78 0.832 . . . . 73.22 110.267 -174.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -63.31 -34.93 78.77 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.648 0.779 . . . . 43.21 110.871 -176.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.48 HD13 ' HE2' ' A' ' 35' ' ' LYS . 21.1 mt -57.76 -44.42 85.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 124.087 0.955 . . . . 74.22 110.994 173.441 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.71 -25.93 68.15 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.486 0.715 . . . . 32.22 111.439 -179.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -69.74 -38.69 76.91 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.083 0.553 . . . . 72.13 110.55 175.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -77.24 -26.85 53.0 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 122.981 0.513 . . . . 61.05 110.846 177.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -69.25 -37.93 78.2 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.69 0.796 . . . . 62.32 110.192 173.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 54.1 tptt -71.47 -33.36 69.23 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 123.701 0.626 . . . . 74.12 109.904 175.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.3 -30.2 67.13 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 115.707 -0.679 . . . . 43.43 110.695 173.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.556 ' CE2' ' HG ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER -92.88 -174.27 3.55 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 123.353 0.661 . . . . 74.42 109.825 177.185 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.509 ' H ' ' HD1' ' A' ' 12' ' ' TYR . 11.5 mptt 55.99 -174.08 0.06 Allowed 'General case' 0 C--N 1.364 1.2 0 C-N-CA 124.659 1.184 . . . . 75.52 110.259 -163.234 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.6 tttm 63.33 0.14 0.75 Allowed 'General case' 0 CA--C 1.564 1.511 0 N-CA-C 113.251 0.834 . . . . 73.54 113.251 176.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.6 -34.62 53.43 Favored 'General case' 0 C--N 1.349 0.585 0 C-N-CA 123.3 0.64 . . . . 63.01 110.239 -173.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -73.33 -18.31 61.2 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 115.23 -0.896 . . . . 74.51 110.133 -174.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -59.46 -43.35 93.24 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.443 1.097 . . . . 73.44 110.958 177.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.2 tt -117.45 -10.37 10.69 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.56 0.744 . . . . 73.22 110.957 -175.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.3 t30 67.65 83.08 0.17 Allowed 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 124.142 0.977 . . . . 64.32 108.972 -167.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -124.89 14.6 8.57 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 124.012 0.925 . . . . 73.41 111.211 -175.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.28 78.58 0.04 OUTLIER Glycine 0 C--N 1.359 1.852 0 O-C-N 124.191 0.932 . . . . 50.22 113.201 -177.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -167.81 -61.61 0.03 OUTLIER 'General case' 0 CA--C 1.523 -0.077 0 N-CA-C 106.319 -1.734 . . . . 63.31 106.319 -173.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.6 mt -52.72 -40.36 62.95 Favored 'General case' 0 N--CA 1.483 1.182 0 O-C-N 125.011 1.444 . . . . 54.55 111.704 -175.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -82.15 -146.8 0.07 Allowed 'General case' 0 CA--C 1.555 1.154 0 CA-C-N 114.672 -1.149 . . . . 63.42 110.108 176.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.55 -64.6 4.26 Favored Glycine 0 C--N 1.353 1.516 0 N-CA-C 110.39 -1.084 . . . . 22.44 110.39 -170.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 36.9 ptt180 -55.12 -25.87 34.53 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.431 1.093 . . . . 73.22 112.311 173.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.17 -50.39 73.85 Favored 'General case' 0 C--N 1.351 0.673 0 C-N-CA 123.262 0.625 . . . . 53.42 110.347 173.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.589 HD23 HD12 ' A' ' 31' ' ' ILE . 75.7 mt -67.85 -35.84 79.28 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 122.426 0.29 . . . . 75.04 111.245 177.212 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -56.81 -44.66 82.2 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 122.955 0.502 . . . . 75.45 110.536 176.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.83 -35.65 77.23 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 115.697 -0.683 . . . . 73.33 110.962 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.589 HD12 HD23 ' A' ' 28' ' ' LEU . 88.5 mt -62.64 -38.96 82.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 123.114 0.565 . . . . 63.14 109.839 173.093 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.67 -38.22 95.91 Favored Glycine 0 C--N 1.349 1.269 0 O-C-N 124.171 0.919 . . . . 51.12 112.107 177.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 93.4 mt -62.35 -42.36 99.33 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 122.898 0.479 . . . . 73.11 110.103 177.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -64.88 -46.9 79.83 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 124.172 0.92 . . . . 73.42 110.837 179.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.48 ' HE2' HD13 ' A' ' 5' ' ' ILE . 73.2 mmtt -58.03 -50.2 74.24 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.412 0.685 . . . . 71.52 110.339 178.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -63.03 -36.56 83.99 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.379 1.072 . . . . 72.44 110.489 -176.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -67.56 -33.8 75.78 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.905 1.282 . . . . 73.35 111.249 177.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 75.1 mtm -85.42 -0.05 53.68 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.611 0.765 . . . . 53.44 111.572 177.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 95.46 -8.86 69.23 Favored Glycine 0 C--N 1.35 1.325 0 C-N-CA 122.978 0.323 . . . . 71.23 112.977 178.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 51.7 mttm -81.11 55.68 2.58 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.818 1.247 . . . . 75.42 110.929 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.77 -19.24 65.08 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.022 0.529 . . . . 65.35 111.654 179.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.699 ' HG2' ' HA3' ' A' ' 83' ' ' GLY . 0.0 OUTLIER -63.85 -56.34 16.13 Favored 'General case' 0 C--N 1.358 0.945 0 N-CA-C 108.044 -1.095 . . . . 63.1 108.044 172.624 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -66.46 -34.17 77.33 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 115.081 -0.963 . . . . 73.51 110.552 -178.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.81 -43.34 98.32 Favored 'General case' 0 C--N 1.352 0.713 0 C-N-CA 124.234 1.014 . . . . 72.14 111.296 179.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.09 -36.69 73.22 Favored 'General case' 0 C--N 1.352 0.675 0 O-C-N 124.566 1.166 . . . . 51.22 111.63 -179.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -59.36 -53.23 60.61 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.682 0.793 . . . . 71.43 110.812 174.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.542 ' HD1' HD22 ' A' ' 28' ' ' LEU . 72.2 m-85 -66.19 -34.08 77.22 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 115.298 -0.865 . . . . 63.34 112.385 -175.008 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -69.22 -34.72 75.29 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.074 0.549 . . . . 72.23 110.769 177.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -71.9 -48.51 45.09 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.016 0.526 . . . . 72.21 110.605 -179.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 72.8 mtp180 -63.41 -31.53 72.71 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 124.259 0.974 . . . . 65.51 110.764 179.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.59 -48.53 66.57 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 123.606 0.762 . . . . 72.34 109.912 173.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.4 -33.29 72.27 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 124.225 0.953 . . . . 73.15 111.965 -177.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 96.7 mt -57.32 -45.46 85.16 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 C-N-CA 123.642 0.777 . . . . 74.41 110.621 175.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 25.8 t -62.43 -49.9 82.05 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 123.661 0.784 . . . . 74.41 110.266 -177.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -67.73 -28.57 67.76 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 115.537 -0.756 . . . . 74.2 111.979 -179.086 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -68.63 -47.58 66.26 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 122.919 0.488 . . . . 72.01 110.805 178.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -60.24 -40.55 90.64 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.326 0.651 . . . . 62.52 111.428 175.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -81.59 -3.37 53.15 Favored 'General case' 0 C--O 1.24 0.572 0 CA-C-N 115.554 -0.748 . . . . 71.11 111.713 178.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 59.23 24.53 12.98 Favored 'General case' 0 C--N 1.361 1.08 0 C-N-CA 125.333 1.453 . . . . 72.14 112.566 174.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -86.04 100.74 12.37 Favored 'General case' 0 C--O 1.24 0.574 0 N-CA-C 108.288 -1.004 . . . . 74.31 108.288 177.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 66.6 p -67.68 -25.13 65.54 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.099 0.96 . . . . 52.15 112.475 -174.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -65.95 -58.15 6.2 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.309 0.643 . . . . 71.31 110.545 -177.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -70.31 -32.06 68.61 Favored Glycine 0 C--N 1.346 1.088 0 O-C-N 124.287 0.992 . . . . 74.15 112.628 -177.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 53.6 tp -65.08 -47.09 78.51 Favored 'General case' 0 C--N 1.349 0.56 0 C-N-CA 123.317 0.647 . . . . 53.11 110.06 176.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 -67.07 -39.19 86.79 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.899 0.879 . . . . 61.44 110.209 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 51.6 ttm-85 -61.42 -47.15 87.08 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.466 1.106 . . . . 75.14 110.181 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.508 ' O ' ' HB2' ' A' ' 71' ' ' LEU . . . -75.05 -31.92 61.41 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 115.236 -0.893 . . . . 72.24 111.475 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.12 -46.17 71.63 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.825 0.85 . . . . 73.44 111.405 -179.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.423 ' HB3' ' NZ ' ' A' ' 69' ' ' LYS . 9.4 mtpm? -67.22 -49.76 63.34 Favored 'General case' 0 C--N 1.342 0.266 0 CA-C-N 114.961 -1.018 . . . . 63.5 110.38 178.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.9 t -63.19 -29.58 70.9 Favored 'General case' 0 C--N 1.355 0.839 0 O-C-N 124.132 0.895 . . . . 63.42 110.933 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.508 ' HB2' ' O ' ' A' ' 67' ' ' ALA . 1.4 tt -61.16 -55.4 32.69 Favored 'General case' 0 C--N 1.361 1.069 0 N-CA-C 108.654 -0.869 . . . . 72.4 108.654 173.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.8 tmtt? -60.87 -36.33 78.91 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 124.817 1.247 . . . . 65.0 111.468 -178.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -70.94 -31.02 67.49 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.195 0.998 . . . . 70.51 110.323 178.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.434 ' O ' HG13 ' A' ' 78' ' ' ILE . . . -72.98 -33.07 65.6 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.132 0.573 . . . . 70.24 110.778 173.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.653 HG21 ' HG2' ' A' ' 88' ' ' LYS . 32.4 mm -62.82 -51.34 73.16 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 O-C-N 123.873 0.733 . . . . 75.12 111.113 -177.36 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 33.7 p -74.01 -4.67 36.76 Favored 'General case' 0 CA--C 1.552 1.023 0 CA-C-N 114.76 -1.109 . . . . 75.21 111.715 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -107.05 -4.89 18.48 Favored 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 124.107 0.963 . . . . 50.03 112.543 174.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' ' 74' ' ' ALA . 63.6 mt -57.58 124.82 69.95 Favored Pre-proline 0 N--CA 1.493 1.723 0 C-N-CA 123.064 0.546 . . . . 75.03 111.763 -175.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -74.33 150.77 42.16 Favored 'Trans proline' 0 C--N 1.377 2.036 0 C-N-CA 122.354 2.036 . . . . 44.21 110.887 173.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 67.59 167.21 0.24 Allowed 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 124.651 1.18 . . . . 65.43 111.636 -179.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -73.26 -25.95 60.9 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 115.851 -0.613 . . . . 65.31 110.408 175.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -72.54 145.15 47.65 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.694 -0.684 . . . . 74.1 110.167 176.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.699 ' HA3' ' HG2' ' A' ' 42' ' ' ARG . . . 89.52 -30.79 5.49 Favored Glycine 0 C--N 1.341 0.834 0 CA-C-O 119.173 -0.793 . . . . 54.43 114.643 -175.171 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.561 ' O ' ' HB2' ' A' ' 88' ' ' LYS . 23.2 mmt180 -53.89 -56.05 21.21 Favored 'General case' 0 C--N 1.351 0.66 0 C-N-CA 123.252 0.621 . . . . 72.34 111.808 -173.493 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -69.27 -57.46 5.3 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 123.906 0.754 . . . . 74.14 111.459 -175.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -57.39 -41.61 80.59 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.148 0.979 . . . . 71.11 111.673 -171.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.536 ' HB2' ' NH2' ' A' ' 42' ' ' ARG . . . -77.29 -31.48 54.83 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.415 -0.812 . . . . 61.35 111.65 -178.261 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.653 ' HG2' HG21 ' A' ' 75' ' ' ILE . 6.8 tmtt? -63.4 -37.3 86.77 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.327 0.651 . . . . 73.04 109.506 -179.617 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -60.29 -38.57 84.03 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.81 0.844 . . . . 75.52 110.665 176.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.444 ' HE2' ' HA ' ' A' ' 87' ' ' ALA . 34.7 mtm -70.88 -35.64 72.43 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 115.258 -0.883 . . . . 62.53 110.758 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.62 -33.33 75.37 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.549 0.74 . . . . 74.12 110.696 176.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -63.25 -47.35 82.82 Favored 'General case' 0 C--N 1.358 0.947 0 O-C-N 123.844 0.715 . . . . 72.35 109.674 174.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 18.7 mmtp -60.7 -48.11 83.24 Favored 'General case' 0 N--CA 1.481 1.095 0 O-C-N 123.992 0.807 . . . . 55.53 111.995 -177.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.04 -34.11 75.64 Favored 'General case' 0 CA--C 1.55 0.969 0 O-C-N 124.063 0.852 . . . . 52.41 111.628 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -68.65 -41.97 78.59 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 124.696 1.198 . . . . 73.43 109.547 176.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -69.69 -32.54 71.21 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 124.186 0.995 . . . . 73.34 111.872 -178.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 53.3 m0 -66.54 -41.91 87.98 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 123.863 0.727 . . . . 74.25 109.494 176.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 50.3 tp -60.32 -41.71 94.09 Favored 'General case' 0 CA--C 1.55 0.966 0 O-C-N 124.156 0.91 . . . . 75.24 110.835 175.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -62.46 -44.97 95.12 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.644 0.778 . . . . 74.25 111.061 176.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.48 -31.05 70.94 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.027 0.931 . . . . 62.25 111.513 -175.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -74.67 -41.86 59.52 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.494 0.717 . . . . 74.2 110.855 176.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -80.71 81.11 7.04 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.565 -0.743 . . . . 63.42 110.539 179.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 31.1 m-80 -87.28 99.95 12.34 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 108.252 -1.018 . . . . 73.45 108.252 176.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 . . . . . 0 CA--C 1.56 1.348 0 C-N-CA 125.112 1.365 . . . . 72.11 111.43 -178.869 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.532 0 CA-C-O 120.597 0.237 . . . . 73.25 111.19 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -74.41 89.42 2.12 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 109.221 -0.659 . . . . 72.51 109.221 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -92.83 -66.43 0.92 Allowed 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.982 0.913 . . . . 53.11 110.077 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -60.52 -42.14 95.84 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 115.009 -0.996 . . . . 72.41 109.681 -179.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.624 HG23 HG23 ' A' ' 31' ' ' ILE . 83.9 mt -59.24 -50.98 77.86 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 C-N-CA 125.313 1.445 . . . . 73.33 111.485 177.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.68 -30.46 71.56 Favored 'General case' 0 N--CA 1.48 1.026 0 O-C-N 123.4 0.437 . . . . 72.52 111.822 178.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -69.24 -37.53 78.01 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.028 0.931 . . . . 63.33 110.085 177.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -77.41 -25.43 50.78 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 122.914 0.485 . . . . 73.5 111.414 177.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -71.37 -36.52 71.47 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 109.982 -0.377 . . . . 74.31 109.982 171.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -72.59 -27.37 62.14 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.076 0.55 . . . . 65.11 109.537 176.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.85 -34.83 64.67 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 122.993 0.517 . . . . 72.11 110.705 173.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.595 ' CE2' ' HG ' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -80.38 110.94 16.31 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.686 0.794 . . . . 72.13 109.227 179.404 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.4 ttpm? -87.7 141.12 28.85 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 108.598 -0.89 . . . . 73.35 108.598 168.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -42.47 119.16 1.34 Allowed 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 125.285 1.434 . . . . 43.35 112.455 -176.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.411 ' HB1' HE21 ' A' ' 20' ' ' GLN . . . -172.21 90.76 0.11 Allowed 'General case' 0 C--N 1.354 0.773 0 C-N-CA 123.416 0.686 . . . . 70.44 111.281 178.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -112.65 13.57 19.94 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.286 1.034 . . . . 71.32 109.49 168.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -146.9 174.25 11.67 Favored 'General case' 0 C--O 1.247 0.953 0 C-N-CA 124.808 1.243 . . . . 73.44 108.414 -172.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 65.8 mt 75.26 144.16 0.08 Allowed 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 125.447 1.499 . . . . 70.11 110.056 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -75.51 80.17 2.53 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-O 121.757 0.789 . . . . 54.14 109.541 178.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.411 HE21 ' HB1' ' A' ' 15' ' ' ALA . 12.1 pt20 -153.03 158.78 42.49 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 114.72 -1.127 . . . . 74.24 109.417 -175.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.579 ' HA2' ' SD ' ' A' ' 24' ' ' MET . . . -163.37 -177.27 36.14 Favored Glycine 0 C--O 1.246 0.886 0 CA-C-N 115.451 -0.795 . . . . 71.04 112.127 -178.656 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 73.13 -55.41 0.68 Allowed 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 125.026 1.33 . . . . 73.43 112.35 -178.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.7 mt -54.76 -36.2 64.6 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 124.287 1.035 . . . . 71.12 110.301 172.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.579 ' SD ' ' HA2' ' A' ' 21' ' ' GLY . 1.6 pmm? -120.35 172.02 8.1 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 114.338 -1.301 . . . . 71.02 109.116 175.172 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.8 -58.3 4.98 Favored Glycine 0 C--N 1.341 0.822 0 CA-C-N 116.258 -0.428 . . . . 52.44 112.591 -177.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 48.1 ttt85 -61.94 -30.13 70.7 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.873 0.869 . . . . 74.13 111.951 -174.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.43 -33.74 65.08 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 122.744 0.418 . . . . 50.33 110.86 178.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.595 ' HG ' ' CE2' ' A' ' 12' ' ' TYR . 69.7 mt -65.19 -42.05 93.99 Favored 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 109.754 -0.462 . . . . 74.43 109.754 172.217 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.425 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 58.8 t80 -55.52 -43.65 75.9 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.633 0.773 . . . . 65.43 109.929 174.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.43 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 14.8 m120 -65.03 -42.13 94.62 Favored 'General case' 0 C--N 1.347 0.488 0 CA-C-N 115.741 -0.663 . . . . 74.12 111.393 178.693 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.624 HG23 HG23 ' A' ' 5' ' ' ILE . 96.6 mt -59.61 -41.54 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 O-C-N 123.727 0.642 . . . . 63.0 109.999 175.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.85 -41.37 99.88 Favored Glycine 0 C--N 1.344 1.027 0 O-C-N 124.188 0.93 . . . . 73.21 112.48 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 29' ' ' TYR . 88.0 mt -59.06 -39.21 81.37 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.151 0.58 . . . . 72.44 110.346 178.014 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.43 ' HG2' ' O ' ' A' ' 30' ' ' ASN . 22.6 mm-40 -77.28 -38.72 50.26 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 123.802 0.689 . . . . 74.11 111.228 -178.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.415 ' HE2' HD13 ' A' ' 5' ' ' ILE . 71.6 mmtt -57.88 -44.03 86.42 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.214 0.606 . . . . 71.24 109.717 176.286 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -61.8 -30.32 70.74 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-N 114.97 -1.014 . . . . 73.22 110.664 -178.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.424 ' HG2' ' O ' ' A' ' 33' ' ' LEU . 46.1 mmtm -76.3 -33.73 59.07 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.243 0.617 . . . . 71.41 110.393 178.025 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 89.7 mtp -75.84 -6.8 52.48 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.673 0.789 . . . . 72.32 111.634 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 96.95 -5.53 63.7 Favored Glycine 0 C--N 1.353 1.514 0 C-N-CA 123.222 0.439 . . . . 73.14 112.043 -177.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 47.6 mttm -87.39 62.63 7.28 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.66 1.184 . . . . 62.05 110.604 -177.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.89 -21.62 60.88 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 122.881 0.472 . . . . 53.44 111.773 -177.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.632 ' HG3' ' HA3' ' A' ' 83' ' ' GLY . 5.7 tmm_? -72.66 -48.39 39.58 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.536 0.735 . . . . 74.44 109.888 176.188 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -61.22 -42.33 98.42 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 109.409 -0.589 . . . . 74.32 109.409 174.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.89 -47.83 70.71 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 124.417 1.073 . . . . 61.41 110.678 177.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.21 -38.71 77.3 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 124.459 1.1 . . . . 72.24 111.439 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.482 ' HB3' ' NH1' ' A' ' 50' ' ' ARG . 62.8 mt-10 -68.63 -37.18 79.52 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.252 0.621 . . . . 74.35 111.615 178.364 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.497 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 51.6 m-85 -74.29 -31.67 62.6 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.244 0.618 . . . . 75.52 111.478 179.506 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -71.15 -34.59 71.13 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 123.619 0.574 . . . . 74.21 109.968 174.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.453 ' O ' HG13 ' A' ' 53' ' ' ILE . 60.7 t80 -68.94 -52.49 28.62 Favored 'General case' 0 C--N 1.347 0.459 0 CA-C-N 116.055 -0.521 . . . . 74.2 110.644 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.482 ' NH1' ' HB3' ' A' ' 46' ' ' GLU . 64.7 mtt85 -67.19 -30.03 69.86 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.71 0.804 . . . . 54.03 111.353 -177.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.04 -51.22 67.56 Favored 'General case' 0 C--O 1.238 0.457 0 O-C-N 123.68 0.613 . . . . 13.54 109.553 169.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.415 ' HB1' HD12 ' A' ' 64' ' ' LEU . . . -59.76 -33.39 71.61 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 114.878 -1.055 . . . . 75.33 112.062 -176.696 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.466 HD12 ' HA ' ' A' ' 50' ' ' ARG . 90.6 mt -57.95 -49.45 81.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 123.694 0.798 . . . . 73.21 110.439 176.558 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 82.4 t -60.92 -47.09 95.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 123.194 0.598 . . . . 75.54 110.944 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -65.03 -29.06 69.94 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 115.877 -0.601 . . . . 74.21 111.723 -179.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -74.56 -46.02 41.59 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.233 0.613 . . . . 73.01 110.618 178.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -55.41 -44.2 75.99 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.486 0.715 . . . . 72.43 111.053 172.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -78.48 -13.84 59.65 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 115.249 -0.887 . . . . 54.13 110.722 -179.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 61.53 28.2 17.53 Favored 'General case' 0 C--N 1.354 0.786 0 C-N-CA 124.791 1.237 . . . . 75.41 112.064 -178.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -81.2 88.63 6.02 Favored 'General case' 0 C--O 1.24 0.562 0 N-CA-C 108.059 -1.089 . . . . 72.43 108.059 170.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 23.5 m -57.93 -28.58 64.41 Favored 'General case' 0 CA--C 1.55 0.98 0 CA-C-N 114.354 -1.294 . . . . 62.44 111.969 -178.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -64.65 -58.41 6.39 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.097 0.959 . . . . 65.44 111.483 -178.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -71.22 -31.4 66.32 Favored Glycine 0 C--N 1.342 0.903 0 CA-C-N 115.636 -0.711 . . . . 64.43 112.508 -178.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.415 HD12 ' HB1' ' A' ' 52' ' ' ALA . 62.1 tp -60.36 -42.47 95.82 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.159 0.584 . . . . 72.23 109.62 172.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -68.8 -38.38 79.9 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 124.038 0.836 . . . . 54.34 110.342 -179.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 26.9 mmt180 -61.25 -46.93 88.34 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 123.667 0.604 . . . . 74.44 110.681 176.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -73.28 -32.95 64.97 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.558 0.743 . . . . 65.24 111.295 -178.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.88 -45.19 62.14 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.538 0.735 . . . . 71.02 110.602 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -64.48 -41.65 96.36 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 124.506 1.129 . . . . 71.5 110.153 -179.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 65.7 m -68.1 -33.79 75.18 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 115.745 -0.661 . . . . 51.45 111.475 177.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.25 -54.35 21.75 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.316 0.646 . . . . 62.13 110.492 -177.563 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -65.42 -32.25 73.78 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 115.328 -0.851 . . . . 74.42 112.138 -174.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -87.98 -15.69 35.77 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 122.735 0.414 . . . . 73.54 110.849 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.405 ' O ' HG13 ' A' ' 78' ' ' ILE . . . -73.75 -25.51 60.2 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 122.684 0.394 . . . . 70.12 110.853 175.018 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.579 HG21 ' HD3' ' A' ' 88' ' ' LYS . 37.9 mm -60.25 -42.62 91.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 O-C-N 124.111 0.882 . . . . 72.51 111.492 -175.159 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 39.7 p -70.87 -20.46 62.52 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 122.995 0.518 . . . . 54.43 111.864 -178.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.67 -14.01 33.09 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.553 0.741 . . . . 75.33 111.57 177.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.474 HG23 ' HB2' ' A' ' 42' ' ' ARG . 58.3 mt -61.73 133.52 93.61 Favored Pre-proline 0 N--CA 1.48 1.052 0 C-N-CA 123.337 0.655 . . . . 71.22 110.159 178.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -53.44 160.32 5.19 Favored 'Trans proline' 0 C--N 1.374 1.9 0 C-N-CA 123.049 2.499 . . . . 72.03 113.12 171.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -75.56 64.59 1.66 Allowed 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.582 0.753 . . . . 64.2 110.936 -179.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -129.63 -177.7 4.38 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.358 0.663 . . . . 74.22 110.368 -172.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -57.0 -32.07 65.73 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.106 1.363 . . . . 74.03 111.797 -178.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.632 ' HA3' ' HG3' ' A' ' 42' ' ' ARG . . . -68.65 -14.57 67.5 Favored Glycine 0 C--N 1.341 0.839 0 CA-C-N 115.026 -0.988 . . . . 75.04 114.528 -176.479 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 13.3 mmt180 -57.91 -52.02 67.24 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.129 0.572 . . . . 64.4 111.147 176.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.27 -54.45 24.73 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.771 0.828 . . . . 74.3 110.594 -171.585 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -65.62 -42.29 91.71 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 123.58 0.752 . . . . 71.21 111.864 -175.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.09 -31.07 67.34 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 122.438 0.295 . . . . 74.35 111.724 -178.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.579 ' HD3' HG21 ' A' ' 75' ' ' ILE . 55.8 tptt -58.11 -41.61 83.93 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 123.921 0.763 . . . . 63.31 110.218 175.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -69.71 -30.24 67.82 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 115.505 -0.77 . . . . 73.11 111.55 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 43.3 mtm -69.5 -39.16 77.76 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 122.779 0.432 . . . . 74.15 110.6 175.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.34 -38.5 84.0 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 115.572 -0.74 . . . . 64.51 110.312 175.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.467 ' HG3' ' O ' ' A' ' 88' ' ' LYS . 91.5 mttt -60.62 -45.96 92.06 Favored 'General case' 0 C--N 1.351 0.666 0 O-C-N 124.203 0.939 . . . . 74.24 110.332 176.126 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 18.6 mmtm -61.26 -40.76 95.29 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.43 0.692 . . . . 45.44 111.629 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.53 -39.17 90.09 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 123.991 0.807 . . . . 74.43 110.856 179.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -69.88 -40.17 75.87 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.599 0.759 . . . . 41.44 110.863 177.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.433 ' HG3' ' O ' ' A' ' 92' ' ' LYS . 47.5 mt-10 -62.71 -40.65 97.84 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.603 0.761 . . . . 73.42 110.703 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 51.6 m0 -66.03 -42.58 89.41 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.081 -0.963 . . . . 64.21 110.482 176.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 34.0 tp -62.85 -38.18 89.8 Favored 'General case' 0 CA--C 1.546 0.816 0 O-C-N 123.889 0.743 . . . . 60.43 110.769 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -73.48 -31.78 63.95 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.145 0.578 . . . . 62.4 110.84 177.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.29 -41.89 80.31 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.249 0.62 . . . . 63.42 110.921 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -69.6 -53.35 19.23 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.636 -0.711 . . . . 70.11 110.3 177.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -79.66 9.48 5.02 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 115.314 -0.857 . . . . 74.23 111.93 -176.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -64.86 -47.34 78.24 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 122.767 0.427 . . . . 61.0 109.875 175.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 3.8 t30 . . . . . 0 C--O 1.248 1.013 0 N-CA-C 108.058 -1.09 . . . . 73.21 108.058 173.524 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.8 0 N-CA-C 108.351 -0.981 . . . . 75.21 108.351 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -128.39 103.03 6.91 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 114.602 -1.181 . . . . 73.54 110.906 -165.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -113.63 -64.57 1.29 Allowed 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.217 1.007 . . . . 74.41 108.535 173.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -72.74 -23.94 60.9 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 124.263 1.025 . . . . 65.53 110.481 -179.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.44 HG12 ' HB3' ' A' ' 34' ' ' GLU . 34.8 mt -65.01 -39.91 87.26 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 124.316 1.047 . . . . 54.33 110.435 176.411 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.27 -26.09 66.2 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.856 0.862 . . . . 74.11 112.122 -178.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -69.43 -42.98 74.28 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.128 0.571 . . . . 63.51 110.435 176.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -65.59 -39.11 91.23 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 123.637 0.775 . . . . 75.03 110.076 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -67.2 -40.25 86.43 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 114.258 -1.337 . . . . 64.23 110.738 178.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -70.72 -32.01 69.05 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 123.399 0.68 . . . . 75.34 111.149 178.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.55 -24.84 67.74 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.587 0.755 . . . . 63.21 112.82 -174.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.515 ' CE2' ' HG ' ' A' ' 28' ' ' LEU . 8.8 t80 -72.07 126.69 30.4 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 110.037 -0.357 . . . . 73.13 110.037 -177.11 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -112.96 -156.36 0.59 Allowed 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 125.01 1.324 . . . . 72.53 110.036 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.555 ' HB2' ' HB3' ' A' ' 17' ' ' GLU . 16.2 ptpt -78.35 83.18 4.59 Favored 'General case' 0 CA--C 1.558 1.285 0 CA-C-O 121.857 0.837 . . . . 54.45 112.019 -177.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.81 -7.76 45.5 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-N 115.383 -0.826 . . . . 33.22 111.822 178.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.45 -33.37 5.28 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.921 0.889 . . . . 74.41 109.519 -176.015 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.555 ' HB3' ' HB2' ' A' ' 14' ' ' LYS . 37.7 tt0 -74.28 -35.93 63.77 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.745 0.818 . . . . 73.31 110.38 177.611 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 73.1 mt -124.66 145.46 49.64 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.201 1.001 . . . . 74.32 109.386 175.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -77.49 87.0 3.83 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 108.977 -0.749 . . . . 74.32 108.977 174.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -159.8 29.68 0.18 Allowed 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.128 0.971 . . . . 73.31 109.401 178.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -73.93 -0.79 57.33 Favored Glycine 0 C--N 1.35 1.306 0 CA-C-N 115.299 -0.864 . . . . 64.23 114.215 -174.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -67.77 -31.44 71.34 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.556 0.742 . . . . 73.02 109.817 170.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.5 mt -72.76 -17.82 61.56 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 124.009 0.924 . . . . 60.21 110.296 177.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 12.7 mtm -127.74 -153.97 0.6 Allowed 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.424 1.49 . . . . 73.21 108.947 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.83 -58.63 4.91 Favored Glycine 0 C--N 1.352 1.421 0 N-CA-C 111.668 -0.573 . . . . 65.4 111.668 -179.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -55.85 -32.17 63.4 Favored 'General case' 0 C--N 1.348 0.543 0 C-N-CA 124.758 1.223 . . . . 74.24 110.035 168.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.477 ' O ' HG13 ' A' ' 31' ' ' ILE . . . -60.82 -53.37 58.12 Favored 'General case' 0 C--N 1.355 0.81 0 O-C-N 123.726 0.641 . . . . 74.11 110.774 175.36 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.564 ' HA ' HD12 ' A' ' 31' ' ' ILE . 19.5 mt -59.28 -40.0 84.74 Favored 'General case' 0 N--CA 1.495 1.804 0 C-N-CA 122.811 0.444 . . . . 73.21 111.433 177.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -62.73 -42.45 99.67 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.792 0.837 . . . . 72.23 110.654 178.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.476 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 5.0 t-20 -68.84 -38.28 79.72 Favored 'General case' 0 C--N 1.35 0.624 0 C-N-CA 123.827 0.851 . . . . 62.32 109.495 -175.183 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.564 HD12 ' HA ' ' A' ' 28' ' ' LEU . 32.7 mt -62.02 -41.99 93.16 Favored 'Isoleucine or valine' 0 C--N 1.357 0.893 0 O-C-N 124.177 0.923 . . . . 44.03 109.832 173.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.26 -37.91 92.52 Favored Glycine 0 C--N 1.354 1.529 0 O-C-N 123.863 0.727 . . . . 45.54 112.623 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 62.4 mt -63.46 -36.46 83.84 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.723 0.809 . . . . 71.24 110.203 175.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.476 ' HG2' ' O ' ' A' ' 30' ' ' ASN . 44.9 mm-40 -77.52 -30.59 52.97 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.349 1.06 . . . . 64.4 111.988 -179.092 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.416 ' HG2' ' O ' ' A' ' 31' ' ' ILE . 75.8 mmtt -67.99 -48.49 65.62 Favored 'General case' 0 C--N 1.345 0.406 0 N-CA-C 107.958 -1.127 . . . . 61.11 107.958 174.204 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 35.9 t-20 -60.7 -33.82 73.45 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 124.227 1.011 . . . . 62.01 110.226 178.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.9 ttmp? -59.13 -43.24 91.96 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.588 0.755 . . . . 64.11 110.339 175.156 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.409 ' HB2' ' HG2' ' A' ' 40' ' ' LYS . 73.2 mtm -80.04 -9.82 59.72 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 115.612 -0.722 . . . . 75.21 112.01 -178.426 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 90.49 8.39 66.01 Favored Glycine 0 C--N 1.342 0.889 0 N-CA-C 112.652 -0.179 . . . . 71.51 112.652 -175.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.409 ' HG2' ' HB2' ' A' ' 38' ' ' MET . 69.2 mmtt -81.31 80.29 7.75 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.826 0.85 . . . . 61.42 108.793 175.642 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.499 ' HB1' ' O ' ' A' ' 74' ' ' ALA . . . -78.48 -34.2 47.74 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.562 -0.745 . . . . 43.45 111.888 -173.073 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -65.45 -48.74 71.65 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.472 0.709 . . . . 74.3 109.612 176.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.43 ' O ' ' HD2' ' A' ' 47' ' ' TYR . 44.3 mt-10 -61.04 -46.85 89.03 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 124.037 0.835 . . . . 71.44 109.731 176.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.25 -49.83 66.07 Favored 'General case' 0 C--N 1.358 0.977 0 O-C-N 124.127 0.892 . . . . 21.44 110.666 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.91 -43.94 81.87 Favored 'General case' 0 CA--C 1.55 0.952 0 O-C-N 124.483 1.114 . . . . 45.24 112.023 -178.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -72.03 -38.7 69.51 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.104 0.562 . . . . 64.34 111.813 -178.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.43 ' HD2' ' O ' ' A' ' 43' ' ' GLU . 41.3 m-85 -67.75 -30.39 69.85 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.533 0.733 . . . . 65.31 110.469 177.023 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -75.33 -35.5 61.2 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.487 0.715 . . . . 72.22 110.972 174.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -70.08 -52.8 20.94 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 123.579 0.549 . . . . 73.24 110.55 -177.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.505 ' O ' HG23 ' A' ' 54' ' ' VAL . 61.6 mtp180 -61.09 -37.24 82.01 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 115.279 -0.873 . . . . 74.41 110.583 178.465 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.11 -47.13 87.17 Favored 'General case' 0 C--N 1.355 0.841 0 O-C-N 123.763 0.664 . . . . 64.01 110.312 173.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.08 -31.76 73.08 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.735 0.814 . . . . 33.2 111.621 -178.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 95.4 mt -62.7 -47.17 94.18 Favored 'Isoleucine or valine' 0 C--N 1.358 0.955 0 C-N-CA 123.435 0.694 . . . . 53.44 109.872 174.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 50' ' ' ARG . 47.8 t -68.89 -41.27 81.98 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.852 0 C-N-CA 123.506 0.722 . . . . 62.14 110.761 -177.534 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -62.07 -38.16 87.76 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.672 0.789 . . . . 72.42 110.353 176.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.445 ' CD1' ' HB3' ' A' ' 97' ' ' TRP . 50.0 t80 -69.58 -44.88 69.92 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.055 0.542 . . . . 73.33 111.235 179.565 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -54.54 -44.52 72.91 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 124.103 0.961 . . . . 75.54 111.865 174.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -83.84 -10.63 57.9 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 115.99 -0.55 . . . . 74.33 111.157 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 65.1 m-70 60.68 30.51 19.76 Favored 'General case' 0 C--N 1.355 0.81 0 C-N-CA 124.903 1.281 . . . . 71.22 111.705 -177.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -80.44 90.64 5.65 Favored 'General case' 0 C--O 1.244 0.8 0 N-CA-C 107.341 -1.355 . . . . 63.53 107.341 171.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 18.2 m -69.52 -26.12 64.37 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 114.597 -1.183 . . . . 61.43 111.761 -171.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -63.41 -52.11 62.95 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.298 0.639 . . . . 70.32 110.737 -177.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -67.7 -40.53 90.13 Favored Glycine 0 C--N 1.348 1.203 0 CA-C-N 115.052 -0.976 . . . . 64.42 112.179 178.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 62.2 tp -60.22 -36.92 78.79 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.615 1.166 . . . . 61.51 111.08 177.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 28.4 ttp180 -65.58 -51.2 61.54 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.634 1.174 . . . . 72.31 110.81 -179.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 48.0 ttt-85 -73.72 -30.43 62.84 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 114.75 -1.114 . . . . 71.32 110.063 -175.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.472 ' O ' ' HB2' ' A' ' 71' ' ' LEU . . . -69.95 -35.19 74.3 Favored 'General case' 0 C--N 1.353 0.746 0 C-N-CA 123.473 0.709 . . . . 70.25 111.107 177.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.1 -41.12 96.09 Favored 'General case' 0 N--CA 1.478 0.96 0 O-C-N 123.84 0.712 . . . . 72.42 111.402 178.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -75.85 -50.94 13.68 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 115.547 -0.752 . . . . 71.24 111.044 178.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 55.2 m -59.69 -30.05 68.51 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.238 0.615 . . . . 74.25 111.783 -176.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.472 ' HB2' ' O ' ' A' ' 67' ' ' ALA . 0.6 OUTLIER -60.83 -55.5 32.34 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 123.873 0.869 . . . . 75.43 109.543 178.182 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.617 ' HA ' HD12 ' A' ' 75' ' ' ILE . 18.6 ptpt -68.69 -29.61 68.1 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 112.289 0.477 . . . . 62.44 112.289 -175.574 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -70.3 -35.16 73.5 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.861 0.464 . . . . 64.23 110.608 177.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.499 ' O ' ' HB1' ' A' ' 41' ' ' ALA . . . -67.69 -38.31 83.52 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 116.13 -0.486 . . . . 63.11 110.334 172.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.869 HD13 ' HA ' ' A' ' 88' ' ' LYS . 64.6 mt -65.35 -41.4 91.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 123.562 0.745 . . . . 72.32 112.548 -177.681 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 73.1 p -62.48 -24.89 67.71 Favored 'General case' 0 CA--C 1.551 1.003 0 O-C-N 123.381 0.426 . . . . 75.22 110.836 176.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -89.81 -16.83 29.33 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.973 0.909 . . . . 75.23 112.394 178.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.427 HG21 ' HA3' ' A' ' 83' ' ' GLY . 69.3 mt -64.12 124.96 87.08 Favored Pre-proline 0 N--CA 1.491 1.606 0 N-CA-C 109.155 -0.683 . . . . 65.32 109.155 176.15 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -60.58 152.96 64.78 Favored 'Trans proline' 0 C--N 1.375 1.931 0 C-N-CA 122.561 2.174 . . . . 51.43 111.228 171.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.54 ' HA ' ' HG3' ' A' ' 84' ' ' ARG . 46.0 mt-10 -66.29 78.24 0.1 Allowed 'General case' 0 N--CA 1.482 1.156 0 CA-C-O 122.023 0.916 . . . . 74.44 111.501 -177.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -149.12 -151.75 0.41 Allowed 'General case' 0 C--O 1.252 1.237 0 C-N-CA 125.727 1.611 . . . . 75.12 107.157 -175.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.6 mp0 -59.43 104.17 0.25 Allowed 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.14 0.976 . . . . 71.43 108.898 170.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.427 ' HA3' HG21 ' A' ' 78' ' ' ILE . . . 143.36 -32.37 1.87 Allowed Glycine 0 C--N 1.339 0.738 0 N-CA-C 112.073 -0.411 . . . . 71.22 112.073 -179.549 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.54 ' HG3' ' HA ' ' A' ' 80' ' ' GLU . 9.0 mmm180 -88.33 134.62 33.77 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 107.286 -1.376 . . . . 51.1 107.286 172.684 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 24.4 tptp 55.47 42.76 29.54 Favored 'General case' 0 N--CA 1.486 1.347 0 CA-C-O 122.725 1.25 . . . . 64.21 110.039 -170.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -157.85 -66.04 0.09 Allowed 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 114.484 -1.235 . . . . 72.4 108.866 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -77.1 -25.84 52.68 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.561 0.745 . . . . 54.02 111.829 177.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.869 ' HA ' HD13 ' A' ' 75' ' ' ILE . 85.5 tttt -59.86 -41.57 91.78 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-O 121.797 0.808 . . . . 60.42 112.436 -172.298 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -73.66 -24.36 59.97 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 114.366 -1.288 . . . . 71.2 110.966 -178.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 28.3 mtm -61.37 -34.78 75.88 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 122.834 0.453 . . . . 64.02 111.302 172.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.444 ' HA ' HD13 ' A' ' 71' ' ' LEU . . . -60.94 -43.53 98.54 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.147 0.579 . . . . 23.32 110.303 175.154 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.528 ' O ' ' HG2' ' A' ' 96' ' ' GLU . 39.3 ttmt -58.19 -43.35 87.49 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 124.538 1.149 . . . . 55.11 110.366 176.374 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -58.8 -45.23 90.35 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.975 0.91 . . . . 75.43 112.008 178.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.79 -33.0 74.29 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.35 0.66 . . . . 65.2 110.784 178.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 40.7 mt-10 -74.66 -34.02 62.63 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.731 0.812 . . . . 72.34 111.538 175.615 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.528 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 10.4 mm-40 -58.95 -46.74 87.28 Favored 'General case' 0 N--CA 1.488 1.437 0 CA-C-O 121.761 0.791 . . . . 72.4 109.903 178.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . 0.445 ' HB3' ' CD1' ' A' ' 56' ' ' TYR . 22.9 m0 -68.66 -37.66 79.81 Favored 'General case' 0 C--N 1.34 0.189 0 CA-C-N 113.719 -1.582 . . . . 53.11 110.343 179.576 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.41 HD11 HE21 ' A' ' 102' ' ' GLN . 35.1 tp -63.01 -36.43 83.54 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 115.767 -0.651 . . . . 72.04 111.019 177.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.401 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 83.9 mm-40 -74.7 -30.62 61.61 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.148 0.579 . . . . 74.13 110.971 177.323 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.31 -34.35 78.13 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 123.649 0.593 . . . . 74.12 110.49 175.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -78.68 -43.78 25.21 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.626 0.77 . . . . 75.04 110.747 176.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.41 HE21 HD11 ' A' ' 98' ' ' LEU . 75.6 mt-30 -88.76 28.48 1.14 Allowed 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.796 0.839 . . . . 75.11 111.599 -179.027 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -69.46 97.28 0.98 Allowed 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 123.331 0.652 . . . . 61.5 109.631 176.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 7.6 t30 . . . . . 0 C--O 1.251 1.172 0 N-CA-C 108.318 -0.993 . . . . 73.32 108.318 -176.552 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.846 0 N-CA-C 111.399 0.148 . . . . 63.1 111.399 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -74.48 0.48 14.56 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 113.875 1.065 . . . . 42.54 113.875 -169.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -64.45 -24.5 67.64 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 122.81 0.444 . . . . 54.41 111.496 174.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -63.97 -33.91 76.79 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 122.845 0.458 . . . . 60.44 111.149 175.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.522 HG23 HG23 ' A' ' 31' ' ' ILE . 70.2 mt -66.02 -47.45 85.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 124.072 0.949 . . . . 64.24 109.594 176.409 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.62 -37.86 68.73 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 124.156 0.91 . . . . 65.5 111.256 178.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -60.59 -45.09 95.27 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 124.279 1.032 . . . . 73.44 111.153 176.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -65.13 -34.34 78.16 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 122.838 0.455 . . . . 72.14 111.118 178.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -72.39 -31.24 65.38 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.739 0.816 . . . . 62.14 111.565 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -74.99 -39.42 61.26 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 124.003 0.921 . . . . 63.42 110.154 174.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.8 -30.9 71.92 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.241 1.016 . . . . 74.53 110.551 177.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.642 ' HA ' ' HG2' ' A' ' 24' ' ' MET . 0.7 OUTLIER -86.72 108.78 18.82 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 108.545 -0.909 . . . . 65.35 108.545 173.249 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -99.64 -59.13 1.78 Allowed 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 122.883 0.473 . . . . 74.53 111.084 -179.034 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 60.0 tptt -166.97 88.11 0.31 Allowed 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 122.765 0.426 . . . . 70.45 109.916 -172.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -119.22 120.39 36.9 Favored 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 109.857 -0.424 . . . . 60.51 109.857 173.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -145.62 -152.29 0.42 Allowed 'General case' 0 C--O 1.243 0.722 0 N-CA-C 106.987 -1.486 . . . . 70.15 106.987 177.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.42 ' HG2' ' HG2' ' A' ' 57' ' ' LYS . 30.4 mt-10 -81.75 67.39 7.71 Favored 'General case' 0 CA--C 1.551 1.012 0 CA-C-O 121.444 0.64 . . . . 75.02 111.184 -177.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.42 ' HB2' ' HG2' ' A' ' 20' ' ' GLN . 3.0 mm? -120.89 -166.99 1.41 Allowed 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.456 1.103 . . . . 72.41 108.091 173.627 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 48.9 m-80 -89.24 28.09 1.29 Allowed 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 122.69 0.396 . . . . 72.45 110.851 173.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.42 ' HG2' ' HB2' ' A' ' 18' ' ' LEU . 29.9 pt20 -132.21 155.01 49.01 Favored 'General case' 0 C--O 1.241 0.646 0 C-N-CA 124.792 1.237 . . . . 75.12 108.971 177.04 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.417 ' HA3' ' HG3' ' A' ' 58' ' ' GLU . . . 164.89 -25.03 0.18 Allowed Glycine 0 C--N 1.337 0.598 0 CA-C-N 115.941 -0.572 . . . . 60.23 112.46 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -69.83 -30.31 67.78 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.687 0.795 . . . . 74.42 111.345 176.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 83.0 mt -65.88 -37.35 85.92 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.607 0.763 . . . . 74.33 110.601 178.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.642 ' HG2' ' HA ' ' A' ' 12' ' ' TYR . 21.6 mtm -126.32 -146.63 0.34 Allowed 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.401 1.08 . . . . 61.03 108.598 -173.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.67 -68.14 3.42 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 118.718 0.69 . . . . 55.32 111.749 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -60.75 -23.08 64.68 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.543 1.137 . . . . 71.32 111.942 178.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.413 ' HB3' ' HD2' ' A' ' 12' ' ' TYR . . . -58.9 -45.91 89.15 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.099 0.56 . . . . 53.13 111.495 175.602 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.514 ' HA ' HD12 ' A' ' 31' ' ' ILE . 46.4 mt -62.65 -37.89 88.13 Favored 'General case' 0 N--CA 1.483 1.219 0 O-C-N 123.39 0.431 . . . . 74.33 111.113 174.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -57.16 -45.18 83.86 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 123.728 0.642 . . . . 74.23 111.091 -179.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -66.81 -34.73 78.45 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 122.935 0.494 . . . . 65.13 111.465 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.522 HG23 HG23 ' A' ' 5' ' ' ILE . 75.3 mt -64.76 -37.37 79.98 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 C-N-CA 123.544 0.738 . . . . 75.33 109.979 176.136 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -65.99 -41.66 95.14 Favored Glycine 0 C--N 1.352 1.419 0 CA-C-N 115.267 -0.879 . . . . 74.1 112.584 178.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.9 mt -58.71 -35.83 73.28 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.364 0.666 . . . . 71.22 110.761 177.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.508 ' HA ' ' HE2' ' A' ' 37' ' ' LYS . 51.4 mm-40 -68.82 -46.19 69.26 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 115.362 -0.836 . . . . 74.32 111.304 177.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm -61.89 -34.2 75.6 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.284 0.634 . . . . 74.2 111.697 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -67.07 -41.96 85.5 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.977 0.911 . . . . 72.41 110.308 -176.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.508 ' HE2' ' HA ' ' A' ' 34' ' ' GLU . 51.8 mtmt -62.73 -41.82 99.37 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 123.168 0.587 . . . . 71.43 110.649 176.212 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 73.2 mtm -80.06 1.87 26.08 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 115.037 -0.983 . . . . 63.31 111.651 -175.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 99.47 -23.45 36.16 Favored Glycine 0 C--N 1.353 1.496 0 CA-C-O 119.801 -0.444 . . . . 73.41 113.448 169.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt -82.03 76.6 8.91 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.141 0.577 . . . . 73.23 110.277 -176.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.459 ' HB3' ' HA ' ' A' ' 78' ' ' ILE . . . -83.57 -4.53 58.64 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 115.582 -0.735 . . . . 73.11 112.569 -173.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.406 ' HG2' HD13 ' A' ' 78' ' ' ILE . 29.2 mtm180 -73.08 -45.25 58.34 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-N 118.184 0.447 . . . . 71.33 109.91 165.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -66.21 -38.36 87.76 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 114.956 -1.02 . . . . 63.3 109.773 175.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.45 ' HB3' ' HA ' ' A' ' 41' ' ' ALA . . . -57.46 -50.05 74.3 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 122.662 0.385 . . . . 72.23 110.35 171.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.13 -46.06 83.0 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 124.442 1.089 . . . . 75.43 112.695 -177.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -70.94 -32.79 69.78 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 122.516 0.326 . . . . 75.34 111.817 -176.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.433 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 24.5 m-85 -70.27 -36.85 74.69 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 122.229 0.212 . . . . 75.23 110.786 175.564 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.592 ' HB2' ' HG ' ' A' ' 71' ' ' LEU . 22.4 m-85 -67.66 -31.91 72.22 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 123.651 0.594 . . . . 61.14 110.765 175.003 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -74.93 -51.98 12.38 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 123.71 0.631 . . . . 72.24 111.233 -177.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 62.8 mtp180 -64.12 -33.0 74.78 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 123.863 0.727 . . . . 63.53 110.364 -178.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.05 -46.78 73.34 Favored 'General case' 0 C--N 1.349 0.569 0 CA-C-N 115.93 -0.577 . . . . 75.3 109.783 172.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.39 -29.83 70.17 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.859 0.864 . . . . 74.03 112.163 -179.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.431 ' O ' ' HD3' ' A' ' 57' ' ' LYS . 88.4 mt -60.1 -54.5 33.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 N-CA-C 109.105 -0.702 . . . . 74.14 109.105 172.567 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 59.9 t -62.33 -34.77 65.98 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.872 0 C-N-CA 123.845 0.858 . . . . 63.22 111.041 -177.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -68.36 -49.85 57.32 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 116.148 -0.478 . . . . 75.42 110.595 178.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -62.81 -46.81 86.25 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.479 0.712 . . . . 74.44 111.936 -176.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.431 ' HD3' ' O ' ' A' ' 53' ' ' ILE . 5.4 mptp? -56.15 -42.43 76.97 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.056 0.943 . . . . 44.22 111.637 177.215 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.417 ' HG3' ' HA3' ' A' ' 21' ' ' GLY . 29.4 mm-40 -86.73 -8.61 57.24 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 115.808 -0.633 . . . . 73.24 112.065 178.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 61.0 61.85 1.54 Allowed 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.968 1.307 . . . . 71.44 112.118 -179.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -113.94 86.98 2.52 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 125.245 1.418 . . . . 62.13 107.769 174.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.4 m -68.27 -23.59 64.78 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.616 0.767 . . . . 70.34 111.221 -176.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -57.26 -57.47 12.46 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.947 1.299 . . . . 74.45 110.221 174.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -72.78 -38.87 56.39 Favored Glycine 0 C--N 1.343 0.966 0 CA-C-N 114.974 -1.012 . . . . 74.04 112.804 177.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 61.6 tp -62.37 -44.37 96.63 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.668 0.787 . . . . 53.44 111.421 -175.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 64.5 ttt180 -64.99 -45.31 86.11 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.462 0.705 . . . . 64.33 110.192 179.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 36.6 ttp-105 -69.13 -33.72 73.9 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 114.663 -1.153 . . . . 75.5 111.212 -175.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.459 ' O ' ' HB2' ' A' ' 71' ' ' LEU . . . -75.85 -41.24 52.94 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.82 0.848 . . . . 71.01 110.556 176.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.36 -42.47 98.89 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 124.098 0.959 . . . . 71.22 111.404 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.437 ' O ' ' HG2' ' A' ' 73' ' ' GLU . 22.5 tptm -66.69 -52.09 48.6 Favored 'General case' 0 C--N 1.345 0.397 0 CA-C-N 114.658 -1.155 . . . . 73.41 109.865 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 78.2 p -63.45 -30.05 71.23 Favored 'General case' 0 C--N 1.349 0.546 0 O-C-N 123.916 0.76 . . . . 63.43 111.484 -178.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.592 ' HG ' ' HB2' ' A' ' 48' ' ' PHE . 0.7 OUTLIER -63.75 -51.81 63.22 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.082 0.953 . . . . 71.34 109.031 177.735 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.7 tmmm? -69.1 -33.54 73.68 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 123.992 0.917 . . . . 53.52 111.363 -177.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 69' ' ' LYS . 26.4 mm-40 -69.88 -33.13 71.82 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 110.083 -0.34 . . . . 60.41 110.083 173.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.538 ' O ' HG13 ' A' ' 78' ' ' ILE . . . -69.34 -32.09 70.95 Favored 'General case' 0 C--O 1.214 -0.785 0 CA-C-O 118.841 -0.6 . . . . 60.35 110.918 177.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.44 HG12 ' O ' ' A' ' 71' ' ' LEU . 36.5 mm -60.64 -49.93 82.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 C-N-CA 123.249 0.62 . . . . 72.23 111.558 -177.255 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 17.0 p -68.1 -27.79 66.78 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 123.892 0.745 . . . . 64.41 111.207 175.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -82.2 -8.56 59.65 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.796 0.839 . . . . 74.24 112.504 179.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.538 HG13 ' O ' ' A' ' 74' ' ' ALA . 78.3 mt -66.46 127.76 93.5 Favored Pre-proline 0 CA--C 1.554 1.126 0 N-CA-C 109.432 -0.581 . . . . 33.41 109.432 176.28 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -78.82 169.4 19.59 Favored 'Trans proline' 0 C--N 1.368 1.599 0 C-N-CA 122.433 2.089 . . . . 61.23 112.486 178.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 63.53 12.27 6.3 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 124.673 1.189 . . . . 73.41 113.273 169.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 63.68 35.23 11.61 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 124.452 1.101 . . . . 74.14 111.311 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -87.08 168.24 13.46 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-N 115.414 -0.812 . . . . 64.32 109.282 172.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.444 ' HA2' ' H ' ' A' ' 87' ' ' ALA . . . 58.97 18.78 41.89 Favored Glycine 0 C--N 1.348 1.21 0 N-CA-C 115.309 0.884 . . . . 53.52 115.309 171.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 24.4 mmt180 -83.93 -40.43 18.54 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 122.001 0.905 . . . . 73.14 109.211 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -102.36 -15.83 16.42 Favored 'General case' 0 CA--C 1.554 1.123 0 CA-C-N 113.936 -1.483 . . . . 63.14 109.645 -178.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -105.53 -77.02 0.59 Allowed 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.124 0.969 . . . . 74.15 111.33 -175.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.444 ' H ' ' HA2' ' A' ' 83' ' ' GLY . . . -68.23 -26.0 65.48 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.85 0.86 . . . . 53.55 112.352 -170.276 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -61.31 -34.2 74.83 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.86 0.864 . . . . 75.35 111.938 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -65.38 -30.59 71.43 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 115.63 -0.714 . . . . 74.2 110.896 178.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 40.5 mtm -72.65 -40.82 66.06 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 115.496 -0.774 . . . . 74.34 110.174 177.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.502 ' HB2' HD22 ' A' ' 71' ' ' LEU . . . -61.48 -42.6 99.03 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.15 0.58 . . . . 71.5 110.53 174.55 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.436 ' O ' ' HG2' ' A' ' 96' ' ' GLU . 56.6 tptt -59.76 -47.35 86.04 Favored 'General case' 0 C--O 1.223 -0.335 0 O-C-N 124.882 1.364 . . . . 60.02 109.359 178.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 15.7 mmtm -59.83 -44.4 94.07 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 124.451 1.095 . . . . 32.24 111.509 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.29 -39.65 92.83 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.185 0.594 . . . . 74.13 111.713 -177.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -75.39 -28.54 59.5 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.564 0.746 . . . . 65.34 110.772 178.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 15.8 mm-40 -66.09 -40.51 90.86 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 122.95 0.5 . . . . 72.43 109.78 172.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 47.7 m0 -66.44 -35.58 80.65 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.585 0.754 . . . . 74.55 111.038 177.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.429 ' O ' ' HG2' ' A' ' 102' ' ' GLN . 51.4 tp -59.57 -50.31 74.38 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 123.882 0.739 . . . . 73.42 110.211 175.489 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -65.51 -30.79 71.6 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.274 0.63 . . . . 72.2 110.949 178.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.45 -33.49 75.25 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.698 0.799 . . . . 75.54 111.249 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -77.98 -34.81 50.76 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 122.926 0.49 . . . . 74.42 111.105 175.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.429 ' HG2' ' O ' ' A' ' 98' ' ' LEU . 15.0 mm-40 -73.39 102.27 3.7 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 109.046 -0.724 . . . . 72.22 109.046 178.29 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -66.12 148.66 51.49 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 123.674 0.79 . . . . 73.2 112.099 -174.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 52.0 t-20 . . . . . 0 C--O 1.256 1.44 0 C-N-CA 124.94 1.296 . . . . 53.32 107.517 176.797 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.649 0.261 . . . . 63.05 111.351 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -137.17 21.24 2.99 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.278 0.631 . . . . 63.53 110.853 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -73.41 -35.57 65.85 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.39 0.676 . . . . 74.55 109.612 -177.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -68.01 -44.66 76.03 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.377 1.071 . . . . 63.2 110.053 172.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.536 HG23 HG23 ' A' ' 31' ' ' ILE . 49.6 mm -59.32 -33.73 51.94 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.88 0 C-N-CA 124.226 1.01 . . . . 73.22 111.356 -177.659 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.84 -32.69 60.88 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.461 1.104 . . . . 74.24 113.248 -177.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -73.0 -45.93 55.05 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.297 0.639 . . . . 62.42 110.748 178.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -72.82 -20.5 61.13 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 115.322 -0.854 . . . . 73.13 112.479 -174.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -63.17 -32.84 74.33 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.188 0.595 . . . . 75.23 111.794 174.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -68.63 -28.15 66.65 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.427 0.691 . . . . 63.33 111.29 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.61 -34.22 75.28 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 122.73 0.412 . . . . 73.02 110.475 176.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.606 ' HD1' ' HB3' ' A' ' 27' ' ' ALA . 4.4 t80 -85.62 168.64 14.25 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 115.701 -0.681 . . . . 54.12 109.846 176.341 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 89.5 mttt 69.45 82.23 0.17 Allowed 'General case' 0 C--N 1.356 0.865 0 C-N-CA 125.094 1.358 . . . . 64.24 110.048 176.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt 56.93 85.91 0.08 Allowed 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.982 1.313 . . . . 71.23 110.586 -176.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.603 ' HB3' ' HB3' ' A' ' 23' ' ' LEU . . . -62.58 -36.62 83.29 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 122.657 0.383 . . . . 72.12 111.576 -177.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -130.91 -79.02 0.53 Allowed 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.607 0.763 . . . . 71.43 109.266 176.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -148.81 152.69 36.96 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.396 0.678 . . . . 44.44 109.982 174.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.2 mp 69.08 141.4 0.04 OUTLIER 'General case' 0 CA--C 1.56 1.343 0 C-N-CA 125.148 1.379 . . . . 65.34 111.384 -173.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -71.5 89.47 0.95 Allowed 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 108.448 -0.945 . . . . 52.14 108.448 171.283 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -122.39 113.07 18.87 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 108.305 -0.998 . . . . 65.41 108.305 179.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.79 -21.45 63.16 Favored Glycine 0 C--N 1.347 1.149 0 O-C-N 123.488 0.492 . . . . 43.03 114.163 -176.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -67.2 -26.44 66.61 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.445 0.698 . . . . 63.04 111.599 174.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.603 ' HB3' ' HB3' ' A' ' 15' ' ' ALA . 79.5 mt -76.53 -16.52 59.61 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 123.332 0.653 . . . . 73.42 111.383 174.24 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 35.3 mtm -132.2 -153.92 0.58 Allowed 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.04 0.936 . . . . 75.22 109.663 -171.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.64 -62.74 3.97 Favored Glycine 0 C--N 1.348 1.208 0 N-CA-C 111.427 -0.669 . . . . 72.22 111.427 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 37.5 ttt-85 -64.53 -22.66 67.03 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 123.328 0.651 . . . . 74.04 110.654 176.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.606 ' HB3' ' HD1' ' A' ' 12' ' ' TYR . . . -64.21 -47.09 81.08 Favored 'General case' 0 C--N 1.347 0.462 0 C-N-CA 122.875 0.47 . . . . 65.13 111.179 174.394 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.526 ' HG ' ' CD1' ' A' ' 12' ' ' TYR . 26.4 mt -67.03 -38.66 86.3 Favored 'General case' 0 C--N 1.365 1.274 0 CA-C-O 120.847 0.356 . . . . 75.32 110.536 176.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -56.74 -42.8 79.93 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 124.218 1.007 . . . . 75.13 111.055 174.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -71.63 -38.49 70.77 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.034 0.934 . . . . 71.24 110.453 -175.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.536 HG23 HG23 ' A' ' 5' ' ' ILE . 91.5 mt -61.14 -41.96 91.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 123.681 0.792 . . . . 70.11 109.57 172.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -60.29 -36.56 91.19 Favored Glycine 0 C--N 1.352 1.435 0 CA-C-N 115.289 -0.869 . . . . 72.41 112.751 177.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.1 mt -68.35 -43.8 76.65 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.264 0.625 . . . . 72.31 110.3 176.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -63.08 -33.41 75.39 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.325 0.65 . . . . 62.33 111.073 178.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.486 ' HD3' ' HB3' ' A' ' 43' ' ' GLU . 64.3 mttm -72.78 -46.16 54.75 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.441 0.696 . . . . 74.43 110.638 175.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -59.69 -33.68 71.9 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.56 0.744 . . . . 75.32 110.323 178.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -63.46 -38.45 91.2 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.031 1.332 . . . . 72.23 111.038 176.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.452 ' HE2' ' HA ' ' A' ' 35' ' ' LYS . 51.1 mtm -83.62 6.85 19.27 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.646 0.778 . . . . 70.33 111.393 178.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.57 2.02 90.06 Favored Glycine 0 C--N 1.356 1.642 0 CA-C-O 120.174 -0.236 . . . . 61.32 113.063 -178.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp -82.73 78.92 9.27 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.376 0.67 . . . . 73.12 109.893 178.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.67 -33.18 53.42 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.686 0.794 . . . . 54.25 111.065 179.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 47.6 tpt85 -66.13 -45.83 79.66 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.77 0.828 . . . . 72.54 110.431 -179.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.486 ' HB3' ' HD3' ' A' ' 35' ' ' LYS . 47.9 mt-10 -69.77 -39.85 76.41 Favored 'General case' 0 C--N 1.353 0.757 0 O-C-N 123.66 0.6 . . . . 74.41 110.64 175.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.76 -43.3 72.61 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 123.755 0.659 . . . . 63.44 111.283 -179.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.24 -39.07 85.42 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 124.116 0.885 . . . . 34.51 112.752 -178.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.429 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 14.5 mm-40 -58.19 -51.27 70.45 Favored 'General case' 0 N--CA 1.477 0.875 0 O-C-N 123.825 0.703 . . . . 73.55 110.329 177.515 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -72.89 -30.88 64.28 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.347 1.059 . . . . 74.54 112.192 -174.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -68.82 -32.01 71.41 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 122.854 0.461 . . . . 72.43 111.01 174.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.441 ' CG ' ' HB3' ' A' ' 90' ' ' MET . 27.4 t80 -72.48 -47.91 44.96 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 123.454 0.471 . . . . 73.21 110.842 178.132 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.429 ' HG3' ' O ' ' A' ' 46' ' ' GLU . 85.8 mtt180 -61.03 -38.56 86.56 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 124.097 0.873 . . . . 75.31 109.765 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.33 -47.34 84.65 Favored 'General case' 0 C--N 1.348 0.539 0 CA-C-N 115.131 -0.941 . . . . 60.34 110.517 173.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.72 -36.06 79.86 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.52 0.728 . . . . 62.4 112.11 -178.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 95.7 mt -59.17 -48.86 85.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 123.978 0.911 . . . . 73.01 110.089 174.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.511 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 85.9 t -60.35 -53.11 53.3 Favored 'Isoleucine or valine' 0 C--N 1.351 0.661 0 O-C-N 124.145 0.903 . . . . 51.14 110.225 -179.371 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -60.74 -31.02 70.35 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.235 0.614 . . . . 73.3 112.415 -179.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 30.2 t80 -70.77 -49.98 40.86 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.307 0.643 . . . . 62.11 111.304 177.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -74.43 -21.36 59.65 Favored 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 112.625 0.602 . . . . 72.52 112.625 -177.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.511 ' HG2' ' O ' ' A' ' 54' ' ' VAL . 5.6 mm-40 -85.4 -12.64 51.56 Favored 'General case' 0 N--CA 1.485 1.293 0 N-CA-C 109.731 -0.47 . . . . 51.11 109.731 169.094 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 74.3 m-70 62.85 29.78 16.61 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.46 1.504 . . . . 73.13 112.39 -179.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -80.38 87.61 5.62 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 107.991 -1.114 . . . . 74.12 107.991 169.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 33.4 m -61.62 -31.12 71.19 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 124.47 1.108 . . . . 71.25 112.373 -174.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -64.27 -52.88 56.46 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.239 1.015 . . . . 71.44 111.106 178.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -69.24 -30.55 71.65 Favored Glycine 0 C--N 1.345 1.062 0 CA-C-N 115.535 -0.757 . . . . 54.13 112.882 178.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 59.9 tp -66.37 -40.74 89.93 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.1 0.56 . . . . 64.03 109.948 176.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -61.59 -45.85 92.38 Favored 'General case' 0 N--CA 1.477 0.906 0 O-C-N 123.83 0.706 . . . . 74.21 110.012 175.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 61.2 ttm-85 -67.88 -40.91 83.49 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 124.745 1.278 . . . . 71.42 111.548 -174.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.431 ' O ' ' HB2' ' A' ' 71' ' ' LEU . . . -75.12 -34.42 61.69 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.57 0.748 . . . . 73.22 110.854 179.463 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.51 -40.32 89.13 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.241 0.616 . . . . 71.35 111.141 174.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.545 ' O ' ' HG2' ' A' ' 73' ' ' GLU . 22.4 tptm -68.24 -50.92 50.72 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-N 114.627 -1.17 . . . . 74.11 109.72 -179.618 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 50.6 m -64.69 -29.49 70.49 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 122.697 0.399 . . . . 65.34 111.066 -178.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.616 HD13 ' HA ' ' A' ' 91' ' ' ALA . 0.6 OUTLIER -61.12 -53.41 57.38 Favored 'General case' 0 C--N 1.354 0.801 0 C-N-CA 123.314 0.646 . . . . 71.02 109.345 176.601 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.64 -29.56 65.96 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 122.748 0.419 . . . . 70.04 111.929 -178.076 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.545 ' HG2' ' O ' ' A' ' 69' ' ' LYS . 10.2 mm-40 -66.04 -34.84 79.0 Favored 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 109.625 -0.509 . . . . 74.03 109.625 172.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.561 ' O ' HG13 ' A' ' 78' ' ' ILE . . . -70.73 -36.24 73.09 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.228 0.611 . . . . 43.04 110.948 176.419 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.486 HG12 ' O ' ' A' ' 71' ' ' LEU . 44.1 mm -64.55 -44.71 96.84 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 C-N-CA 123.293 0.637 . . . . 74.24 111.43 -177.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 30.8 p -68.16 -13.27 62.1 Favored 'General case' 0 CA--C 1.551 0.982 0 CA-C-N 115.668 -0.696 . . . . 73.44 111.289 176.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -97.09 -17.57 19.88 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 123.995 0.918 . . . . 75.33 111.484 173.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.676 HG21 ' HA3' ' A' ' 83' ' ' GLY . 43.5 mt -78.11 132.97 65.59 Favored Pre-proline 0 N--CA 1.485 1.287 0 N-CA-C 108.777 -0.823 . . . . 54.41 108.777 173.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -59.32 158.63 25.88 Favored 'Trans proline' 0 C--N 1.377 2.061 0 C-N-CA 122.749 2.299 . . . . 73.53 112.293 168.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.471 ' HG2' ' HE ' ' A' ' 84' ' ' ARG . 42.2 mt-10 -79.72 176.16 9.97 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 122.994 0.518 . . . . 72.3 111.531 177.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 70.83 -3.35 2.0 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 124.978 1.311 . . . . 73.41 112.583 -174.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -170.5 139.84 1.69 Allowed 'General case' 0 C--N 1.357 0.926 0 C-N-CA 124.125 0.97 . . . . 73.3 108.603 177.42 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.676 ' HA3' HG21 ' A' ' 78' ' ' ILE . . . 71.78 -61.91 1.25 Allowed Glycine 0 CA--C 1.534 1.227 0 N-CA-C 114.808 0.683 . . . . 33.43 114.808 -177.087 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.471 ' HE ' ' HG2' ' A' ' 80' ' ' GLU . 0.4 OUTLIER -60.1 -27.18 66.81 Favored 'General case' 0 CA--C 1.559 1.302 0 C-N-CA 123.839 0.856 . . . . 64.43 110.157 176.266 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -88.33 -33.46 17.98 Favored 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 123.431 0.692 . . . . 64.13 111.278 173.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -104.05 -65.81 1.0 Allowed 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.937 0.895 . . . . 72.15 111.343 -163.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.96 -24.25 65.94 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.649 1.18 . . . . 75.41 112.492 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -58.64 -32.99 69.56 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 123.498 0.719 . . . . 72.35 112.345 177.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -60.78 -32.34 71.67 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.489 0.716 . . . . 62.32 110.681 177.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.441 ' HB3' ' CG ' ' A' ' 49' ' ' PHE . 31.0 mtm -74.14 -38.02 63.88 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 114.917 -1.038 . . . . 75.34 111.113 178.315 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.616 ' HA ' HD13 ' A' ' 71' ' ' LEU . . . -58.15 -43.0 87.14 Favored 'General case' 0 C--N 1.352 0.687 0 O-C-N 123.767 0.667 . . . . 64.23 109.711 173.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.452 ' O ' ' HG2' ' A' ' 96' ' ' GLU . 52.6 mtpt -62.05 -42.29 99.03 Favored 'General case' 0 C--N 1.351 0.635 0 O-C-N 124.481 1.113 . . . . 71.51 111.521 178.095 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 25.7 mmtp -56.38 -50.75 70.67 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.521 0.728 . . . . 74.12 110.699 177.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.7 -33.1 72.35 Favored 'General case' 0 CA--C 1.552 1.048 0 CA-C-N 115.027 -0.988 . . . . 52.44 111.858 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.488 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 45.8 mt-10 -68.24 -45.84 72.11 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.269 1.027 . . . . 71.33 110.71 174.525 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 19.4 mm-40 -61.09 -38.88 87.83 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.676 0.79 . . . . 75.13 110.774 -178.404 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 49.3 m0 -66.24 -41.71 89.64 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 114.982 -1.008 . . . . 73.2 110.234 177.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 51.2 tp -64.85 -37.39 87.45 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 123.657 0.598 . . . . 61.44 110.608 178.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.488 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 81.7 mm-40 -71.56 -25.68 62.31 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.199 0.599 . . . . 63.45 111.149 178.313 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -77.71 -41.65 37.15 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.512 0.725 . . . . 73.41 110.986 176.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -69.59 -43.63 72.44 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.352 0.661 . . . . 63.42 110.798 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -72.88 105.92 4.6 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 108.395 -0.965 . . . . 75.42 108.395 170.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -59.71 134.07 56.68 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.076 0.55 . . . . 62.32 109.713 177.092 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 6.9 t30 . . . . . 0 CA--C 1.554 1.122 0 C-N-CA 122.853 0.461 . . . . 60.32 109.844 175.209 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.93 0 CA-C-O 120.729 0.3 . . . . 72.21 111.523 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.828 ' HA ' HD13 ' A' ' 5' ' ' ILE . 55.4 m-20 -124.59 33.02 5.33 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 112.367 0.506 . . . . 61.35 112.367 -165.06 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.2 mp0 -71.78 -53.17 14.24 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 108.888 -0.782 . . . . 61.15 108.888 178.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.454 ' O ' ' HB3' ' A' ' 7' ' ' LYS . 27.5 t-20 -65.11 -28.85 69.73 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-N 115.006 -0.997 . . . . 63.42 110.939 179.203 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.828 HD13 ' HA ' ' A' ' 2' ' ' ASP . 2.0 mp -62.41 -45.29 99.13 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.788 0 C-N-CA 123.302 0.641 . . . . 64.23 109.663 176.413 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.07 -30.49 68.1 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.966 0.906 . . . . 71.15 112.403 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.454 ' HB3' ' O ' ' A' ' 4' ' ' ASN . 53.9 tttp -58.88 -51.37 70.33 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.981 0.912 . . . . 61.51 110.675 175.52 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -79.34 -23.1 43.66 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 115.785 -0.643 . . . . 71.45 112.468 -175.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -70.55 -36.75 73.82 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 109.836 -0.431 . . . . 72.12 109.836 172.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.2 tmtt? -68.41 -42.68 78.64 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 108.399 -0.963 . . . . 71.41 108.399 175.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.36 -29.5 69.69 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 123.896 0.878 . . . . 62.12 111.514 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.519 ' CE2' ' HG ' ' A' ' 28' ' ' LEU . 2.0 t80 -80.3 98.73 7.54 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 109.265 -0.642 . . . . 75.22 109.265 -179.33 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.579 ' HB2' HE22 ' A' ' 20' ' ' GLN . 96.9 mttt -85.26 23.2 1.33 Allowed 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.977 0.911 . . . . 43.3 112.152 -178.306 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.416 ' H ' ' HD1' ' A' ' 12' ' ' TYR . 19.0 tptm 60.29 93.02 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.235 1.414 . . . . 64.2 110.926 -177.441 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.548 ' HB1' ' HA2' ' A' ' 21' ' ' GLY . . . -61.97 -24.45 67.02 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.578 1.151 . . . . 53.12 112.794 -176.057 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -81.26 -25.36 36.65 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 123.583 0.753 . . . . 75.32 111.131 -174.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -103.86 -58.9 1.81 Allowed 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 122.972 0.509 . . . . 75.3 110.399 -175.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.56 ' HB3' HE21 ' A' ' 20' ' ' GLN . 1.6 tt -79.73 118.71 21.78 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 107.726 -1.213 . . . . 52.04 107.726 176.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -62.48 89.82 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.255 1.022 . . . . 64.14 111.173 -175.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.579 HE22 ' HB2' ' A' ' 13' ' ' LYS . 45.3 mt-30 -142.13 -69.38 0.36 Allowed 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.488 1.115 . . . . 45.45 109.162 179.162 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.548 ' HA2' ' HB1' ' A' ' 15' ' ' ALA . . . 74.59 -74.65 1.29 Allowed Glycine 0 C--N 1.359 1.822 0 CA-C-N 115.747 -0.661 . . . . 53.22 113.306 -178.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -52.23 -33.94 43.64 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 126.138 1.775 . . . . 65.32 113.135 -177.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 40.7 mt -79.94 0.59 30.78 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.622 0.769 . . . . 70.31 111.969 -174.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.491 ' HG2' ' HA ' ' A' ' 12' ' ' TYR . 23.6 mtm -138.88 -171.35 3.07 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.293 1.037 . . . . 71.04 110.48 -179.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.65 -55.82 4.43 Favored Glycine 0 C--N 1.347 1.162 0 N-CA-C 109.805 -1.318 . . . . 70.12 109.805 -170.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -58.1 -35.32 71.26 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.463 1.105 . . . . 75.03 111.114 175.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.83 -46.06 81.94 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 123.158 0.583 . . . . 50.22 111.163 174.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.519 ' HG ' ' CE2' ' A' ' 12' ' ' TYR . 28.2 mt -66.11 -35.41 80.44 Favored 'General case' 0 N--CA 1.484 1.227 0 O-C-N 123.133 0.27 . . . . 73.44 111.237 176.607 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -58.64 -44.5 90.1 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.251 0.621 . . . . 74.22 110.946 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 66.5 m-80 -68.24 -34.8 76.88 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 122.781 0.433 . . . . 75.32 111.468 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.495 HD12 HD23 ' A' ' 28' ' ' LEU . 85.4 mt -62.32 -40.71 88.87 Favored 'Isoleucine or valine' 0 C--N 1.352 0.695 0 N-CA-C 109.532 -0.544 . . . . 72.01 109.532 174.024 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.8 -37.51 94.79 Favored Glycine 0 C--N 1.344 1.016 0 CA-C-N 115.214 -0.903 . . . . 43.11 112.331 176.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.5 mt -63.37 -40.7 97.98 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.393 0.677 . . . . 52.33 110.411 178.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -67.79 -44.25 77.8 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 123.98 0.8 . . . . 73.21 111.403 179.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.612 ' HE2' HG12 ' A' ' 5' ' ' ILE . 6.0 mptp? -59.35 -48.94 79.73 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.484 0.714 . . . . 71.5 109.767 175.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -60.79 -36.02 77.93 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.051 0.94 . . . . 62.4 110.656 -178.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.2 tptt -67.5 -39.38 85.16 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.842 0.857 . . . . 73.43 110.851 178.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 53.5 mtm -77.54 -7.69 56.67 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.011 0.525 . . . . 74.02 111.495 178.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 92.47 1.32 68.92 Favored Glycine 0 C--N 1.346 1.087 0 N-CA-C 112.082 -0.407 . . . . 54.33 112.082 -178.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -79.04 68.28 4.95 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 108.878 -0.786 . . . . 74.43 108.878 173.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.457 ' HB1' ' O ' ' A' ' 74' ' ' ALA . . . -78.26 -25.86 46.98 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.039 0.936 . . . . 61.21 111.604 -173.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -65.93 -49.39 68.14 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.403 1.081 . . . . 63.34 109.36 172.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -64.39 -41.3 96.73 Favored 'General case' 0 N--CA 1.478 0.933 0 O-C-N 123.839 0.712 . . . . 73.11 110.915 175.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.52 -46.02 87.64 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.944 0.898 . . . . 75.35 110.843 -178.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.62 -33.71 66.54 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 124.649 1.218 . . . . 60.5 111.889 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.432 ' HB3' ' NH1' ' A' ' 50' ' ' ARG . 42.3 mt-10 -65.78 -51.74 56.57 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.519 0.728 . . . . 55.31 110.676 177.266 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.485 ' HD1' HD22 ' A' ' 28' ' ' LEU . 79.5 m-85 -68.86 -33.41 73.75 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 115.613 -0.721 . . . . 61.24 111.921 -175.332 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.416 ' HB2' ' HG ' ' A' ' 71' ' ' LEU . 19.8 m-85 -68.02 -35.35 78.13 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 123.736 0.647 . . . . 73.44 110.434 176.234 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -70.82 -50.77 31.97 Favored 'General case' 0 C--N 1.347 0.468 0 CA-C-N 115.91 -0.586 . . . . 64.54 111.206 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.432 ' NH1' ' HB3' ' A' ' 46' ' ' GLU . 67.9 mtt180 -68.7 -29.84 68.36 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.501 -0.772 . . . . 65.24 110.589 -176.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.24 -51.23 67.05 Favored 'General case' 0 C--N 1.348 0.512 0 O-C-N 124.075 0.859 . . . . 70.44 109.427 168.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.6 -31.31 69.36 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.1 0.96 . . . . 73.53 112.011 -177.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.521 ' O ' ' HD3' ' A' ' 57' ' ' LYS . 93.6 mt -60.71 -53.75 44.65 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 C-N-CA 123.677 0.791 . . . . 73.43 109.64 174.455 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 46.4 t -63.56 -39.93 87.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 123.05 0.54 . . . . 72.11 110.749 -176.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -61.7 -43.34 99.04 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.202 0.601 . . . . 74.23 110.988 176.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -63.78 -45.97 87.31 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.871 0.869 . . . . 74.43 111.218 -179.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.521 ' HD3' ' O ' ' A' ' 53' ' ' ILE . 5.5 mptp? -55.51 -43.09 75.37 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.833 0.853 . . . . 71.5 111.671 173.253 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -80.86 -11.46 59.58 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 122.962 0.505 . . . . 64.44 111.709 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 64.54 28.46 13.36 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.139 1.376 . . . . 75.15 111.82 -177.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -80.98 83.73 6.62 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 108.198 -1.038 . . . . 72.22 108.198 173.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 10.8 p -56.21 -33.07 64.99 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.186 0.994 . . . . 62.52 113.293 174.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.427 ' O ' ' HG3' ' A' ' 66' ' ' ARG . 27.1 t70 -66.96 -50.78 61.24 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.116 0.566 . . . . 74.44 110.566 -177.318 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -67.37 -41.17 91.41 Favored Glycine 0 C--N 1.349 1.261 0 O-C-N 123.639 0.587 . . . . 72.31 112.22 176.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 44.1 tp -58.11 -37.26 74.22 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.586 1.154 . . . . 55.45 110.723 176.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.469 ' HD2' HE22 ' A' ' 102' ' ' GLN . 78.3 ttt180 -64.88 -50.78 65.21 Favored 'General case' 0 C--N 1.347 0.471 0 C-N-CA 124.274 1.03 . . . . 75.43 109.807 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.427 ' HG3' ' O ' ' A' ' 62' ' ' ASP . 81.6 mtt-85 -57.51 -45.97 84.35 Favored 'General case' 0 N--CA 1.475 0.775 0 O-C-N 124.335 1.022 . . . . 74.42 110.575 178.475 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.457 ' O ' ' HB2' ' A' ' 71' ' ' LEU . . . -67.67 -38.6 83.98 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.025 0.93 . . . . 70.14 111.522 -177.108 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.91 -43.2 68.78 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.582 0.753 . . . . 73.45 111.371 -178.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.548 ' HA ' ' HE2' ' A' ' 69' ' ' LYS . 10.7 mmpt? -65.51 -51.49 59.63 Favored 'General case' 0 C--N 1.347 0.461 0 CA-C-N 115.735 -0.666 . . . . 62.33 110.399 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 27.0 m -64.41 -29.81 70.86 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.953 0.901 . . . . 72.45 111.604 -178.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.523 HD13 ' HA ' ' A' ' 91' ' ' ALA . 1.0 OUTLIER -60.11 -48.41 81.85 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.413 0.685 . . . . 64.24 109.371 176.629 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -70.39 -34.18 72.27 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-N 115.422 -0.808 . . . . 73.52 111.614 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -70.21 -21.09 63.05 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.463 0.705 . . . . 73.04 110.458 176.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.457 ' O ' ' HB1' ' A' ' 41' ' ' ALA . . . -80.92 -35.51 32.28 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.299 0.639 . . . . 74.24 110.455 171.316 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.715 HG21 ' HD3' ' A' ' 88' ' ' LYS . 40.4 mm -60.71 -45.82 96.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 CA-C-O 120.941 0.401 . . . . 74.32 111.247 -178.486 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 14.8 t -66.71 -15.55 63.6 Favored 'General case' 0 CA--C 1.555 1.139 0 CA-C-N 115.553 -0.748 . . . . 65.41 111.566 -179.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -106.48 -3.37 20.99 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 123.938 0.895 . . . . 55.54 112.7 -178.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 86.1 mt -64.98 127.37 92.72 Favored Pre-proline 0 N--CA 1.49 1.558 0 CA-C-O 118.971 -0.538 . . . . 73.44 109.55 176.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_exo -55.0 126.04 21.23 Favored 'Trans proline' 0 C--N 1.37 1.673 0 C-N-CA 123.287 2.658 . . . . 51.34 112.607 165.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -67.08 85.58 0.14 Allowed 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 124.76 1.224 . . . . 73.44 111.05 -177.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 177.69 -50.48 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.957 1.303 . . . . 73.43 109.395 179.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -59.84 -61.85 2.31 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 124.11 0.881 . . . . 70.44 112.464 -172.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 174.69 85.84 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 121.462 -0.399 . . . . 63.02 112.247 -178.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 27.0 mmt85 -66.86 -69.33 0.31 Allowed 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.199 0.6 . . . . 65.13 109.456 173.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.496 ' HA ' ' HB3' ' A' ' 88' ' ' LYS . 49.4 mtmt -62.38 -36.18 81.49 Favored 'General case' 0 N--CA 1.48 1.039 0 O-C-N 124.096 0.872 . . . . 74.43 111.605 -179.093 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -45.54 -60.44 2.18 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 124.821 1.248 . . . . 55.12 111.547 174.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.591 ' HA ' ' HE2' ' A' ' 90' ' ' MET . . . -76.94 -26.13 53.68 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 115.814 -0.63 . . . . 73.02 111.802 179.518 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.715 ' HD3' HG21 ' A' ' 75' ' ' ILE . 28.6 tptp -65.56 -36.12 82.84 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.294 1.037 . . . . 62.11 111.105 -176.073 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.486 ' HG2' ' O ' ' A' ' 85' ' ' LYS . 11.8 mm-40 -63.86 -37.71 88.4 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 122.877 0.471 . . . . 72.44 110.354 176.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.591 ' HE2' ' HA ' ' A' ' 87' ' ' ALA . 37.4 mtm -68.44 -38.56 81.27 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 115.345 -0.843 . . . . 73.31 110.499 177.038 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.523 ' HA ' HD13 ' A' ' 71' ' ' LEU . . . -62.12 -40.35 95.61 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.319 0.648 . . . . 72.25 110.226 176.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.514 ' O ' ' HG2' ' A' ' 96' ' ' GLU . 57.2 tttm -72.2 -33.42 67.62 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 123.921 0.763 . . . . 72.0 110.667 -178.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 59.1 mmtt -59.4 -47.63 84.71 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 122.804 0.442 . . . . 75.12 110.381 174.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.33 -32.96 73.8 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 115.281 -0.872 . . . . 75.02 111.487 177.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' A' ' 91' ' ' ALA . 45.0 mt-10 -67.75 -42.63 81.51 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.37 0.668 . . . . 75.21 111.145 174.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.514 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 49.3 mm-40 -60.79 -46.77 89.19 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 123.812 0.695 . . . . 64.15 110.061 -178.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 44.4 m0 -63.18 -42.95 99.46 Favored 'General case' 0 C--N 1.345 0.406 0 O-C-N 124.507 1.13 . . . . 64.12 111.092 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 26.5 tp -62.93 -50.1 72.15 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 123.914 0.759 . . . . 74.34 111.167 -176.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -69.82 -32.48 70.93 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.211 0.604 . . . . 74.41 110.893 -178.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.75 -47.05 70.34 Favored 'General case' 0 C--O 1.244 0.815 0 C-N-CA 123.244 0.618 . . . . 70.41 111.419 -178.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -75.78 -57.73 3.7 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 123.315 0.384 . . . . 73.14 111.064 -177.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.469 HE22 ' HD2' ' A' ' 65' ' ' ARG . 13.6 pt20 -105.1 126.94 52.63 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 109.139 -0.689 . . . . 61.32 109.139 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -154.51 177.55 11.06 Favored 'General case' 0 C--O 1.244 0.794 0 C-N-CA 124.103 0.961 . . . . 74.2 109.183 -176.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 . . . . . 0 C--O 1.254 1.297 0 C-N-CA 123.399 0.68 . . . . 64.42 110.65 176.733 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.085 0 CA-C-O 120.605 0.24 . . . . 64.43 110.406 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.737 ' HB2' HD12 ' A' ' 5' ' ' ILE . 5.5 p-10 -155.79 24.08 0.39 Allowed 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.479 0.712 . . . . 73.42 110.507 173.438 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -65.82 -18.69 65.51 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.271 0.628 . . . . 62.43 111.098 177.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -60.46 -49.37 77.85 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.584 0.754 . . . . 74.24 109.644 172.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.75 HG23 HG23 ' A' ' 31' ' ' ILE . 90.3 mt -58.4 -51.41 71.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 124.949 1.299 . . . . 74.13 109.763 174.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.41 -37.54 72.9 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-N 114.239 -1.346 . . . . 55.53 112.029 -178.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.9 tppt? -59.59 -39.52 84.45 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.003 0.921 . . . . 73.34 110.932 -174.18 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -72.69 -31.45 65.05 Favored 'General case' 0 CA--C 1.55 0.956 0 CA-C-N 115.164 -0.925 . . . . 75.14 111.115 179.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -65.98 -46.1 79.24 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 123.864 0.866 . . . . 74.53 111.214 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -68.57 -35.17 77.03 Favored 'General case' 0 N--CA 1.486 1.346 0 CA-C-N 116.085 -0.507 . . . . 64.34 109.88 178.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.6 -20.61 62.74 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.521 0.729 . . . . 22.12 111.573 176.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.523 ' HA ' ' HG2' ' A' ' 24' ' ' MET . 2.4 t80 -82.09 112.35 19.06 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 109.35 -0.611 . . . . 75.4 109.35 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -102.24 21.53 14.82 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 124.386 1.075 . . . . 73.42 111.755 -176.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.445 ' NZ ' ' HB2' ' A' ' 14' ' ' LYS . 7.5 mtmp? 69.71 115.09 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 125.828 1.651 . . . . 75.22 110.858 -174.224 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.475 ' HB2' ' HB2' ' A' ' 24' ' ' MET . . . -103.48 117.33 34.2 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.25 0.62 . . . . 74.4 111.2 -175.39 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -122.12 177.98 5.11 Favored 'General case' 0 C--O 1.24 0.565 0 C-N-CA 123.942 0.897 . . . . 72.11 109.246 171.145 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -77.97 81.06 4.39 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-O 122.238 1.018 . . . . 73.21 108.297 -176.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.447 HD23 ' N ' ' A' ' 19' ' ' ASN . 8.3 tt -164.89 157.85 16.63 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 113.069 -1.878 . . . . 75.5 107.019 -170.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.447 ' N ' HD23 ' A' ' 18' ' ' LEU . 42.9 m-80 -70.83 75.99 0.62 Allowed 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.062 0.545 . . . . 60.42 111.906 -174.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.409 ' H ' ' H ' ' A' ' 21' ' ' GLY . 9.8 pt20 -177.18 -18.99 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 125.493 1.517 . . . . 75.14 110.206 175.407 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.409 ' H ' ' H ' ' A' ' 20' ' ' GLN . . . -57.86 -34.75 72.43 Favored Glycine 0 C--N 1.356 1.649 0 O-C-N 123.287 0.367 . . . . 60.14 113.916 -173.384 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -56.1 -31.98 63.76 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 124.769 1.228 . . . . 63.22 112.765 177.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 60.1 mt -66.76 -23.25 66.06 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.678 0.791 . . . . 73.33 110.946 -178.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.523 ' HG2' ' HA ' ' A' ' 12' ' ' TYR . 27.6 mtm -115.91 -165.19 1.02 Allowed 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.957 1.303 . . . . 72.33 109.406 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.87 -59.98 4.9 Favored Glycine 0 C--N 1.346 1.13 0 N-CA-C 111.152 -0.779 . . . . 70.45 111.152 -174.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 60.2 ttt180 -53.74 -36.83 62.74 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.6 1.16 . . . . 61.51 111.09 170.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.415 ' HB3' ' HD2' ' A' ' 12' ' ' TYR . . . -59.74 -52.7 64.36 Favored 'General case' 0 CA--C 1.548 0.869 0 O-C-N 123.796 0.685 . . . . 72.2 111.17 178.502 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.598 HD23 HD12 ' A' ' 31' ' ' ILE . 24.3 mt -67.01 -32.39 73.58 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 122.457 0.303 . . . . 62.51 111.577 177.028 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -62.46 -43.27 99.23 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.139 0.576 . . . . 74.32 109.87 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.504 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 15.2 m120 -67.13 -35.33 79.5 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 115.521 -0.763 . . . . 73.55 110.903 178.49 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.75 HG23 HG23 ' A' ' 5' ' ' ILE . 94.5 mt -64.14 -39.81 86.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 C-N-CA 123.527 0.731 . . . . 65.42 109.575 175.433 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.42 -39.65 97.97 Favored Glycine 0 C--N 1.348 1.239 0 CA-C-N 115.067 -0.97 . . . . 73.43 112.512 176.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.448 HD12 HD22 ' A' ' 30' ' ' ASN . 98.3 mt -63.09 -43.43 98.52 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.498 0.719 . . . . 53.31 110.449 176.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.504 ' HG2' ' O ' ' A' ' 30' ' ' ASN . 9.4 mm-40 -61.13 -42.91 99.4 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.663 0.785 . . . . 61.3 111.044 178.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.466 ' HG2' ' HE2' ' A' ' 47' ' ' TYR . 3.0 mptp? -66.31 -45.18 81.25 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.057 0.943 . . . . 61.2 110.708 178.301 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -61.27 -38.36 86.47 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.695 0.798 . . . . 75.2 110.36 -178.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -62.65 -42.13 99.43 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.494 1.117 . . . . 75.12 109.625 177.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 67.1 mtm -85.06 12.67 7.26 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 123.631 0.772 . . . . 71.3 112.164 -178.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.2 -8.44 60.9 Favored Glycine 0 C--N 1.353 1.503 0 CA-C-O 119.979 -0.345 . . . . 65.44 113.877 176.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 39.1 mttm -77.83 69.0 4.0 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.375 1.07 . . . . 74.41 109.429 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.467 ' HA ' ' HB3' ' A' ' 44' ' ' ALA . . . -82.05 -17.67 45.89 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.497 0.719 . . . . 73.51 112.258 -172.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -64.94 -53.85 39.96 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 108.913 -0.773 . . . . 64.43 108.913 169.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -63.45 -38.86 92.77 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 114.894 -1.048 . . . . 75.32 110.453 177.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.467 ' HB3' ' HA ' ' A' ' 41' ' ' ALA . . . -57.06 -55.54 33.34 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.225 0.61 . . . . 70.11 110.797 -178.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.2 -32.81 71.44 Favored 'General case' 0 C--N 1.35 0.627 0 O-C-N 124.318 1.011 . . . . 72.11 111.401 179.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 7.5 tm-20 -62.36 -50.02 73.24 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.366 1.066 . . . . 71.31 110.11 179.224 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.466 ' HE2' ' HG2' ' A' ' 35' ' ' LYS . 61.1 m-85 -72.08 -32.95 67.51 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 122.845 0.458 . . . . 73.11 111.685 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -64.41 -31.68 72.99 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 123.769 0.668 . . . . 72.54 110.275 176.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.4 ' O ' HG13 ' A' ' 53' ' ' ILE . 28.1 t80 -69.99 -50.56 40.41 Favored 'General case' 0 C--N 1.345 0.376 0 O-C-N 124.162 0.913 . . . . 75.21 110.734 178.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' A' ' 46' ' ' GLU . 77.1 mtp180 -60.15 -40.96 91.66 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.888 0.875 . . . . 53.33 110.148 179.262 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.93 -42.86 94.32 Favored 'General case' 0 C--N 1.345 0.407 0 CA-C-N 114.552 -1.204 . . . . 62.03 110.77 177.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.96 -38.03 89.44 Favored 'General case' 0 N--CA 1.482 1.166 0 O-C-N 123.986 0.804 . . . . 50.53 111.051 -177.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 49' ' ' PHE . 87.6 mt -57.67 -41.71 79.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 123.982 0.913 . . . . 71.11 110.607 173.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.4 t -71.65 -43.8 70.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 123.204 0.602 . . . . 75.2 111.046 -177.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -65.75 -27.77 68.55 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-O 120.988 0.423 . . . . 74.4 111.075 177.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -74.04 -48.12 32.19 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.568 1.147 . . . . 75.23 111.719 177.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -68.41 -26.45 65.55 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 122.865 0.466 . . . . 70.23 111.686 178.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -85.28 -11.89 53.72 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.36 0.664 . . . . 72.31 111.145 173.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 63.73 21.74 12.8 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.099 1.359 . . . . 65.41 111.831 177.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -81.86 92.63 6.73 Favored 'General case' 0 C--O 1.238 0.476 0 N-CA-C 108.27 -1.011 . . . . 71.22 108.27 178.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 12.4 p -59.56 -36.19 75.71 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.996 0.918 . . . . 74.14 112.764 -175.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -60.65 -49.65 76.67 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 123.596 0.56 . . . . 72.11 110.685 -179.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -72.14 -32.67 62.78 Favored Glycine 0 C--N 1.343 0.932 0 O-C-N 124.303 1.002 . . . . 70.21 112.729 -179.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 63.6 tp -71.36 -37.08 71.66 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.694 0.798 . . . . 71.43 110.507 179.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 28.8 ttm-85 -71.95 -34.96 69.41 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.468 1.107 . . . . 75.23 109.829 176.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 30.0 ttm-85 -71.22 -40.48 71.09 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.161 1.384 . . . . 72.1 110.474 179.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.447 ' O ' ' HB2' ' A' ' 71' ' ' LEU . . . -75.59 -36.56 60.31 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 115.21 -0.905 . . . . 53.54 110.794 178.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.48 -45.43 87.38 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 123.923 0.765 . . . . 74.15 110.117 176.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.565 ' HA ' ' HE3' ' A' ' 72' ' ' LYS . 37.8 ttmt -55.54 -51.7 66.2 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 124.862 1.352 . . . . 74.0 110.872 178.436 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 37.1 m -73.61 -31.66 63.68 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 115.261 -0.881 . . . . 60.44 111.635 -176.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.447 ' HB2' ' O ' ' A' ' 67' ' ' ALA . 1.6 tt -64.53 -54.71 28.04 Favored 'General case' 0 N--CA 1.485 1.284 0 N-CA-C 108.962 -0.755 . . . . 74.31 108.962 -179.546 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.565 ' HE3' ' HA ' ' A' ' 69' ' ' LYS . 21.8 pttp -69.83 -34.41 73.62 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 115.43 -0.804 . . . . 74.4 111.888 -173.337 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.404 ' HG3' ' HG3' ' A' ' 72' ' ' LYS . 48.9 mt-10 -89.61 3.26 53.14 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.412 0.685 . . . . 63.35 111.28 178.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.465 ' O ' HG13 ' A' ' 78' ' ' ILE . . . -78.85 -27.86 44.19 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 109.709 -0.478 . . . . 65.44 109.709 165.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.48 HG21 ' HG2' ' A' ' 88' ' ' LYS . 2.0 mp -62.76 -39.74 85.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 C-N-CA 123.544 0.738 . . . . 73.23 111.004 178.041 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 38.0 p -67.24 -14.66 63.12 Favored 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 122.783 0.433 . . . . 73.0 111.639 177.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -100.16 -13.76 18.81 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 124.197 0.999 . . . . 34.44 111.935 176.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.739 HG21 ' H ' ' A' ' 84' ' ' ARG . 68.8 mt -70.53 138.72 86.24 Favored Pre-proline 0 N--CA 1.492 1.627 0 C-N-CA 123.542 0.737 . . . . 75.42 110.917 -178.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_exo -52.06 155.69 8.46 Favored 'Trans proline' 0 C--N 1.384 2.417 0 C-N-CA 123.633 2.889 . . . . 74.24 113.988 168.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -87.86 9.34 22.31 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 112.744 0.646 . . . . 65.1 112.744 -178.489 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -103.17 -69.86 0.78 Allowed 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.637 0.775 . . . . 65.32 109.868 172.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -90.95 145.93 24.3 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 122.971 0.508 . . . . 71.32 110.237 -171.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 78.29 -106.89 2.38 Favored Glycine 0 C--N 1.351 1.395 0 C-N-CA 123.419 0.533 . . . . 62.41 112.468 174.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.739 ' H ' HG21 ' A' ' 78' ' ' ILE . 25.4 tpp180 57.93 -86.16 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 125.681 1.592 . . . . 70.33 111.216 179.298 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -68.42 -41.55 80.22 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.692 1.197 . . . . 75.22 110.82 -177.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -52.71 -52.04 57.85 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 124.313 1.008 . . . . 73.31 111.028 -177.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -76.71 -25.98 54.19 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.258 -0.883 . . . . 63.33 112.266 179.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.48 ' HG2' HG21 ' A' ' 75' ' ' ILE . 4.8 tmtt? -63.29 -37.37 86.98 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.65 0.78 . . . . 63.25 110.597 -178.293 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -67.76 -32.72 73.51 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 115.015 -0.993 . . . . 72.5 111.275 179.253 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 45.0 mtm -69.62 -35.09 74.94 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.014 0.525 . . . . 64.05 110.559 176.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.68 -38.72 82.29 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 115.249 -0.887 . . . . 72.03 111.063 176.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.424 ' O ' ' HG2' ' A' ' 96' ' ' GLU . 90.5 mttt -56.58 -46.39 80.83 Favored 'General case' 0 C--N 1.359 1.014 0 O-C-N 124.186 0.929 . . . . 74.02 110.682 177.088 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 63.1 mmtt -56.37 -51.21 69.16 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 124.395 1.059 . . . . 64.2 111.311 -178.039 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.59 -36.07 79.63 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 123.898 0.749 . . . . 63.23 112.603 -176.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -73.13 -36.86 66.79 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.677 0.791 . . . . 72.33 110.669 177.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 60.2 mm-40 -69.32 -33.87 73.81 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.28 0.632 . . . . 72.42 111.024 178.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 37.9 m0 -71.22 -38.42 72.01 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 123.206 0.602 . . . . 63.04 110.439 176.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 44.8 tp -64.26 -39.96 95.01 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.28 0.632 . . . . 61.12 110.833 177.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -64.95 -44.73 88.48 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.16 0.584 . . . . 74.54 110.525 173.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.13 -34.41 77.54 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.744 0.818 . . . . 61.22 111.779 -177.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -77.94 -50.04 12.96 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.173 0.589 . . . . 70.11 111.901 -177.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -83.92 173.04 11.54 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 112.764 0.653 . . . . 74.24 112.764 -172.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 35.4 m-80 -75.26 133.02 41.44 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 115.279 -0.873 . . . . 73.05 110.101 -179.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 20.1 m-80 . . . . . 0 N--CA 1.482 1.153 0 C-N-CA 123.931 0.892 . . . . 64.01 109.075 -179.059 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.941 0 N-CA-C 109.461 -0.57 . . . . 73.45 109.461 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.2 t70 64.93 33.08 10.16 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 124.217 1.007 . . . . 75.05 110.185 177.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -66.16 -61.64 1.92 Allowed 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.749 0.819 . . . . 73.44 112.44 -168.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 55.4 m-20 -62.12 -35.56 79.1 Favored 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 123.261 0.624 . . . . 74.25 110.561 -179.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.699 HG23 HG23 ' A' ' 31' ' ' ILE . 42.6 mt -67.73 -47.49 79.63 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 CA-C-N 114.804 -1.089 . . . . 61.41 111.1 -176.304 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.08 -26.66 67.81 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 123.998 0.811 . . . . 63.33 110.958 179.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -67.18 -52.73 37.8 Favored 'General case' 0 C--N 1.353 0.749 0 O-C-N 123.493 0.496 . . . . 62.13 110.308 172.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -63.07 -34.44 77.59 Favored 'General case' 0 N--CA 1.493 1.692 0 C-N-CA 123.08 0.552 . . . . 74.43 111.435 -179.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -69.51 -51.69 33.45 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.702 1.201 . . . . 71.52 109.349 -178.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.9 tmtt? -69.27 -27.52 65.49 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 124.078 0.951 . . . . 75.04 110.589 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.57 -27.6 60.56 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.439 0.695 . . . . 65.22 111.45 179.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.504 ' CE2' ' HG ' ' A' ' 28' ' ' LEU . 3.3 t80 -56.91 119.67 6.64 Favored 'General case' 0 C--N 1.357 0.924 0 N-CA-C 108.083 -1.08 . . . . 63.42 108.083 174.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.499 ' HG2' ' HG2' ' A' ' 14' ' ' LYS . 60.7 tttp -83.17 -86.41 0.11 Allowed 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 109.439 -0.578 . . . . 75.5 109.439 -174.023 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.499 ' HG2' ' HG2' ' A' ' 13' ' ' LYS . 17.9 ptmt -177.48 131.75 0.16 Allowed 'General case' 0 C--N 1.349 0.583 0 C-N-CA 124.365 1.066 . . . . 60.24 108.521 -178.73 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.452 ' HB2' ' HB2' ' A' ' 24' ' ' MET . . . -115.86 -35.8 4.36 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.031 0.532 . . . . 62.24 112.147 -169.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -74.58 -24.79 58.96 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.444 0.698 . . . . 72.25 111.598 -172.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -90.16 -16.7 29.01 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 122.446 0.298 . . . . 65.42 110.67 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.5 mt -100.05 159.25 15.24 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.407 0.683 . . . . 65.1 110.661 -179.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -69.24 -22.35 63.86 Favored 'General case' 0 CA--C 1.554 1.12 0 CA-C-N 114.949 -1.023 . . . . 64.11 109.797 170.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -98.9 104.93 17.02 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.262 1.025 . . . . 64.11 110.243 -178.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -99.59 -25.34 9.33 Favored Glycine 0 N--CA 1.468 0.776 0 N-CA-C 110.988 -0.845 . . . . 72.23 110.988 166.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -50.6 -33.44 22.15 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 125.972 1.709 . . . . 75.45 113.872 -177.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 82.5 mt -72.52 -49.94 29.31 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.619 0.768 . . . . 64.34 110.401 -178.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.452 ' HB2' ' HB2' ' A' ' 15' ' ' ALA . 3.5 mpp? -87.34 177.21 7.2 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 115.013 -0.994 . . . . 63.44 110.251 178.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.39 -43.58 2.92 Favored Glycine 0 N--CA 1.481 1.684 0 N-CA-C 111.241 -0.744 . . . . 64.31 111.241 -172.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.2 ttm-85 -56.73 -39.01 73.16 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.255 1.422 . . . . 61.24 110.204 170.192 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.404 ' O ' HG13 ' A' ' 31' ' ' ILE . . . -64.72 -44.29 90.68 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 114.916 -1.038 . . . . 72.44 110.782 174.453 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.514 ' HA ' HD12 ' A' ' 31' ' ' ILE . 37.8 mt -57.45 -41.05 79.77 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.566 0.746 . . . . 72.24 111.142 176.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.448 ' OH ' ' HD2' ' A' ' 66' ' ' ARG . 44.4 t80 -61.95 -42.18 98.83 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-N 115.725 -0.67 . . . . 70.11 110.873 -179.042 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -63.95 -40.04 95.52 Favored 'General case' 0 N--CA 1.482 1.145 0 O-C-N 123.64 0.588 . . . . 75.05 110.972 177.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.699 HG23 HG23 ' A' ' 5' ' ' ILE . 89.0 mt -59.28 -43.21 89.4 Favored 'Isoleucine or valine' 0 C--N 1.355 0.845 0 C-N-CA 123.756 0.823 . . . . 71.5 109.698 176.651 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -61.88 -46.13 94.77 Favored Glycine 0 C--N 1.347 1.156 0 CA-C-N 115.168 -0.924 . . . . 71.12 113.09 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.4 mt -58.37 -38.28 76.94 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.285 0.634 . . . . 74.44 110.472 177.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -73.11 -33.01 65.3 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 124.156 0.982 . . . . 74.33 112.356 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.569 ' HE2' HG21 ' A' ' 5' ' ' ILE . 71.5 mmtt -69.33 -45.73 68.76 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.104 0.562 . . . . 74.41 110.102 176.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -61.63 -35.32 77.57 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.48 1.112 . . . . 63.1 109.709 177.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.4 tmmm? -62.64 -36.87 84.23 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.86 1.264 . . . . 63.13 111.634 179.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 57.4 mtm -81.71 -18.8 43.11 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 123.027 0.531 . . . . 72.32 111.766 178.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 116.94 -25.94 8.62 Favored Glycine 0 C--N 1.343 0.924 0 CA-C-O 119.702 -0.499 . . . . 72.31 112.295 -178.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -76.33 74.12 3.11 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-O 122.113 0.959 . . . . 74.55 110.565 179.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.416 ' HA ' ' HB3' ' A' ' 44' ' ' ALA . . . -82.66 -6.39 59.35 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 114.468 -1.242 . . . . 51.54 111.688 -174.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 -72.88 -47.67 44.01 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.019 0.527 . . . . 63.33 110.494 173.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -60.12 -44.62 94.76 Favored 'General case' 0 C--N 1.355 0.837 0 O-C-N 123.742 0.651 . . . . 60.03 109.379 172.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.416 ' HB3' ' HA ' ' A' ' 41' ' ' ALA . . . -53.54 -47.64 69.81 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 124.33 1.019 . . . . 74.22 111.799 178.129 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.71 -38.08 77.53 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 124.623 1.202 . . . . 74.44 111.251 -178.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -64.65 -50.46 67.01 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 123.813 0.696 . . . . 72.44 110.667 175.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.418 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 62.6 m-85 -63.61 -32.01 73.36 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 122.84 0.456 . . . . 73.23 112.043 -177.006 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.438 ' HE2' ' HB2' ' A' ' 74' ' ' ALA . 21.4 m-85 -69.66 -42.54 74.08 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 123.57 0.544 . . . . 75.34 110.157 175.034 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -66.91 -46.99 73.15 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 115.487 -0.779 . . . . 64.33 111.524 -177.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.436 ' O ' HG23 ' A' ' 54' ' ' VAL . 60.4 mtp85 -72.9 -31.95 65.02 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.751 0.821 . . . . 73.51 110.208 -176.17 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.71 -47.0 85.49 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 109.18 -0.674 . . . . 75.13 109.18 170.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.27 -32.96 71.66 Favored 'General case' 0 N--CA 1.48 1.038 0 O-C-N 124.157 0.911 . . . . 55.44 111.658 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.523 HG22 ' HE2' ' A' ' 57' ' ' LYS . 97.6 mt -67.05 -48.92 77.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 123.552 0.741 . . . . 74.31 110.346 175.259 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 50' ' ' ARG . 75.0 t -60.8 -42.33 91.94 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 C-N-CA 122.906 0.482 . . . . 60.05 110.482 179.745 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -67.94 -36.36 79.99 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.311 0.644 . . . . 73.21 111.592 178.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -67.39 -39.92 85.63 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 123.34 0.4 . . . . 61.44 110.929 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.523 ' HE2' HG22 ' A' ' 53' ' ' ILE . 67.7 mttm -54.89 -43.53 73.28 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.823 0.849 . . . . 70.21 111.515 170.2 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -82.04 -8.45 59.66 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 115.818 -0.628 . . . . 71.43 111.143 178.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 60.22 25.18 14.56 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 125.561 1.545 . . . . 73.42 111.616 -179.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -80.04 92.58 5.62 Favored 'General case' 0 C--O 1.245 0.836 0 CA-C-N 114.6 -1.182 . . . . 71.42 108.228 177.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 16.5 p -63.31 -26.98 69.01 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 114.96 -1.018 . . . . 44.32 113.026 -174.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -69.41 -45.43 69.24 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 123.724 0.64 . . . . 74.5 110.636 -177.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -71.02 -39.53 63.24 Favored Glycine 0 C--N 1.343 0.945 0 CA-C-N 115.847 -0.615 . . . . 72.1 112.298 178.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 65.6 tp -59.57 -43.38 93.61 Favored 'General case' 0 CA--C 1.554 1.101 0 C-N-CA 124.323 1.049 . . . . 72.4 110.569 174.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -66.42 -42.95 86.98 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 125.296 1.439 . . . . 73.41 110.871 178.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.448 ' HD2' ' OH ' ' A' ' 29' ' ' TYR . 0.2 OUTLIER -65.0 -42.69 94.25 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.128 0.971 . . . . 73.24 110.174 -178.693 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.403 ' HB1' ' O ' ' A' ' 48' ' ' PHE . . . -71.29 -41.23 70.25 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.153 0.981 . . . . 70.12 111.138 -177.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.43 -39.99 89.24 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.855 0.862 . . . . 52.45 111.296 178.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.9 tmtt? -61.24 -46.31 90.92 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.466 1.106 . . . . 72.42 110.032 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 43.5 m -76.15 -29.25 57.69 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 123.368 0.667 . . . . 71.44 112.35 179.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.506 HD22 ' HB2' ' A' ' 91' ' ' ALA . 1.2 tt -59.51 -52.34 65.97 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 123.763 0.825 . . . . 74.22 110.001 -176.101 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.468 ' HA ' HD12 ' A' ' 75' ' ' ILE . 14.4 ptmm? -61.87 -36.94 82.73 Favored 'General case' 0 CA--C 1.552 1.02 0 CA-C-N 115.242 -0.89 . . . . 74.23 111.827 -177.541 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -77.16 -23.72 51.59 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.775 0.83 . . . . 74.34 111.119 -178.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.438 ' HB2' ' HE2' ' A' ' 48' ' ' PHE . . . -69.15 -38.84 78.99 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.81 -0.632 . . . . 73.01 110.428 172.621 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.742 HD13 ' HA ' ' A' ' 88' ' ' LYS . 58.0 mt -65.32 -41.8 92.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 123.697 0.799 . . . . 52.45 111.745 -175.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 6.2 p -70.66 -14.76 62.59 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 115.813 -0.631 . . . . 72.42 111.696 175.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -99.69 -10.71 21.61 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 123.825 0.85 . . . . 60.35 112.304 176.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 74' ' ' ALA . 65.5 mt -62.35 118.73 43.2 Favored Pre-proline 0 N--CA 1.492 1.656 0 C-N-CA 122.933 0.493 . . . . 62.22 111.228 -178.37 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -81.75 166.01 17.54 Favored 'Trans proline' 0 C--N 1.368 1.603 0 C-N-CA 122.381 2.054 . . . . 73.25 110.302 169.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 62.95 101.23 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.127 0.971 . . . . 70.31 110.896 178.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -69.72 -6.38 31.43 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.667 0.787 . . . . 52.23 111.948 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -50.04 -41.07 46.94 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.624 1.17 . . . . 71.24 109.681 164.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -90.45 -103.46 1.21 Allowed Glycine 0 C--N 1.348 1.238 0 CA-C-N 115.391 -0.822 . . . . 63.43 112.139 170.192 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 22.7 tpp180 56.85 -83.07 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 125.662 1.585 . . . . 74.24 112.752 179.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.443 ' O ' ' HG2' ' A' ' 89' ' ' GLU . 63.7 tttp -65.01 -36.11 83.34 Favored 'General case' 0 C--N 1.359 0.986 0 C-N-CA 123.745 0.818 . . . . 62.14 112.712 -168.085 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 87' ' ' ALA . 8.4 pt-20 -51.71 -45.99 63.76 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 123.154 0.582 . . . . 74.32 111.092 178.484 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.419 ' N ' ' HG3' ' A' ' 86' ' ' GLU . . . -78.82 -27.14 44.28 Favored 'General case' 0 C--O 1.242 0.677 0 C-N-CA 124.283 1.033 . . . . 60.54 111.866 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.742 ' HA ' HD13 ' A' ' 75' ' ' ILE . 13.2 tmtt? -62.67 -47.59 83.02 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 123.62 0.768 . . . . 75.14 109.886 -179.087 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' A' ' 85' ' ' LYS . 9.2 mm-40 -57.51 -28.76 63.74 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 124.0 0.92 . . . . 74.25 112.252 -177.122 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 37.8 mtm -71.34 -35.28 71.11 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.573 0.749 . . . . 62.2 111.872 -178.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.506 ' HB2' HD22 ' A' ' 71' ' ' LEU . . . -63.67 -28.43 69.9 Favored 'General case' 0 N--CA 1.482 1.136 0 CA-C-O 119.549 -0.262 . . . . 51.3 111.477 178.55 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.498 ' O ' ' HG2' ' A' ' 96' ' ' GLU . 86.6 tttt -57.64 -48.8 78.46 Favored 'General case' 0 C--N 1.357 0.907 0 O-C-N 124.235 0.96 . . . . 74.31 109.154 173.511 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -61.74 -49.72 75.26 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 124.222 0.951 . . . . 62.31 111.29 -177.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.77 -32.53 70.68 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.2 0.6 . . . . 60.22 111.279 178.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.72 -40.19 56.03 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 123.56 0.744 . . . . 71.53 110.127 178.309 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.498 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 13.3 mm-40 -67.08 -35.81 80.64 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.498 0.719 . . . . 74.14 110.607 -179.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 40.8 m0 -67.5 -38.88 84.97 Favored 'General case' 0 C--N 1.347 0.473 0 CA-C-N 115.83 -0.623 . . . . 72.32 109.763 177.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 29.0 tp -63.68 -42.27 98.04 Favored 'General case' 0 CA--C 1.548 0.87 0 O-C-N 123.67 0.607 . . . . 53.34 110.332 176.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -64.89 -37.75 88.68 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.406 0.683 . . . . 73.32 111.502 176.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.84 -45.71 64.02 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.541 0.736 . . . . 62.33 110.804 -177.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -69.13 -32.43 71.8 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 115.131 -0.94 . . . . 64.51 110.905 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -85.46 65.95 9.44 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-O 121.583 0.706 . . . . 73.13 109.464 173.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -97.69 113.94 25.81 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.84 0.856 . . . . 41.52 109.599 178.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 6.6 p30 . . . . . 0 C--O 1.249 1.041 0 C-N-CA 123.19 0.596 . . . . 71.14 110.176 178.145 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.081 0 CA-C-O 120.617 0.246 . . . . 71.14 110.549 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -83.25 142.2 31.3 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.457 0.703 . . . . 73.13 110.44 176.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -155.77 -66.16 0.12 Allowed 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.22 0.608 . . . . 52.42 109.484 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 34.0 m-20 -65.13 -24.08 67.31 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.942 0.897 . . . . 71.41 111.069 -178.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.597 HG23 HG23 ' A' ' 31' ' ' ILE . 25.1 mt -58.82 -43.72 88.81 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 C-N-CA 124.351 1.06 . . . . 71.22 110.946 -179.349 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.35 -37.62 78.31 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.441 0.696 . . . . 63.14 111.021 178.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -62.71 -52.91 61.41 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.677 0.61 . . . . 73.43 110.401 176.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -66.3 -38.63 88.18 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 112.825 0.676 . . . . 74.14 112.825 -173.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -72.46 -17.04 61.8 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.023 0.529 . . . . 52.52 111.935 -179.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -104.65 -16.9 14.85 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.198 0.599 . . . . 72.32 110.884 175.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -85.23 -23.91 28.04 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.643 0.777 . . . . 73.51 110.46 176.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.675 ' HE2' ' HG ' ' A' ' 28' ' ' LEU . 14.3 t80 -128.44 150.5 50.11 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.615 -0.72 . . . . 74.1 110.034 -178.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.3 mtmp? -123.0 -159.76 0.86 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.952 1.301 . . . . 75.0 107.7 -179.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -87.96 139.78 30.17 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 109.584 -0.524 . . . . 64.33 109.584 177.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.475 ' HB2' ' OH ' ' A' ' 12' ' ' TYR . . . -83.23 1.39 41.0 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 113.433 0.901 . . . . 70.34 113.433 -174.729 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -75.46 -21.94 57.69 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.145 0.578 . . . . 74.53 111.288 177.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -58.9 -53.18 61.25 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.946 0.898 . . . . 61.33 110.9 -174.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.3 mt -120.52 129.81 53.98 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-N 114.674 -1.148 . . . . 51.01 108.743 -179.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -75.21 85.58 2.42 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 123.749 0.82 . . . . 63.01 109.317 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -168.89 47.9 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.632 1.173 . . . . 71.55 109.778 -173.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.63 -18.1 50.91 Favored Glycine 0 CA--C 1.533 1.157 0 CA-C-N 115.549 -0.75 . . . . 43.43 114.701 -175.179 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.553 ' HG3' ' HG ' ' A' ' 23' ' ' LEU . 9.0 pt-20 -55.42 -37.59 67.86 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 124.638 1.175 . . . . 73.32 112.666 174.102 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.553 ' HG ' ' HG3' ' A' ' 22' ' ' GLU . 81.4 mt -84.69 -8.06 59.0 Favored 'General case' 0 C--O 1.241 0.635 0 C-N-CA 123.653 0.781 . . . . 72.44 111.902 -173.057 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.443 ' HB2' ' CE1' ' A' ' 12' ' ' TYR . 18.8 ptp -145.75 -162.41 1.51 Allowed 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 112.141 0.423 . . . . 74.22 112.141 -170.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.59 -46.24 2.55 Favored Glycine 0 C--N 1.364 2.123 0 C-N-CA 122.753 0.215 . . . . 65.21 112.816 179.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 70.4 mtt180 -60.19 -25.93 65.96 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.643 1.177 . . . . 71.15 111.917 -177.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.43 ' O ' HG13 ' A' ' 31' ' ' ILE . . . -68.03 -36.35 79.78 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 122.777 0.431 . . . . 74.11 111.777 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.675 ' HG ' ' HE2' ' A' ' 12' ' ' TYR . 41.7 mt -61.04 -45.37 95.04 Favored 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 109.943 -0.392 . . . . 72.12 109.943 173.028 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -53.59 -38.02 63.52 Favored 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 124.109 0.963 . . . . 71.13 110.863 178.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -65.19 -41.86 94.17 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.609 0.763 . . . . 72.0 111.273 176.571 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.597 HG23 HG23 ' A' ' 5' ' ' ILE . 22.3 mt -64.99 -33.48 64.0 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 C-N-CA 123.466 0.707 . . . . 71.22 109.835 178.504 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.417 ' HA2' ' HA ' ' A' ' 44' ' ' ALA . . . -61.95 -47.24 91.35 Favored Glycine 0 C--N 1.353 1.495 0 CA-C-N 115.113 -0.949 . . . . 63.15 111.998 175.259 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.0 mt -58.87 -36.72 75.09 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.721 0.808 . . . . 52.03 111.371 176.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -69.93 -44.91 68.62 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.612 0.765 . . . . 75.42 112.014 -178.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.491 ' HD2' ' HE2' ' A' ' 47' ' ' TYR . 48.2 mttp -72.57 -27.68 62.34 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 122.544 0.338 . . . . 70.42 111.809 179.513 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -66.09 -28.42 68.81 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.443 0.697 . . . . 73.33 111.037 178.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -64.49 -33.17 75.26 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.84 0.856 . . . . 75.53 111.113 176.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 70.0 mtm -82.09 1.9 33.79 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.608 0.763 . . . . 55.1 111.469 177.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.94 4.27 90.33 Favored Glycine 0 C--N 1.349 1.275 0 C-N-CA 123.062 0.363 . . . . 62.42 112.706 -177.023 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -84.94 73.57 10.65 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-O 121.58 0.705 . . . . 61.34 109.124 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.21 -23.24 57.58 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 114.508 -1.224 . . . . 75.41 111.448 -177.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.608 ' HG3' ' HA3' ' A' ' 83' ' ' GLY . 2.5 tmm_? -72.18 -50.14 29.98 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 108.868 -0.79 . . . . 75.25 108.868 176.709 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.3 mp0 -64.01 -34.17 77.4 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 114.321 -1.309 . . . . 65.05 109.535 178.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.417 ' HA ' ' HA2' ' A' ' 32' ' ' GLY . . . -65.37 -43.48 90.6 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.963 0.905 . . . . 61.53 110.865 172.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.31 -30.29 71.34 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.137 0.975 . . . . 70.21 111.409 -178.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -56.97 -47.89 79.68 Favored 'General case' 0 C--N 1.353 0.723 0 O-C-N 123.954 0.784 . . . . 74.34 110.412 173.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.491 ' HE2' ' HD2' ' A' ' 35' ' ' LYS . 65.9 m-85 -74.09 -32.87 63.43 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.574 -0.739 . . . . 73.22 112.285 -176.664 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -69.77 -32.39 70.87 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 123.562 0.539 . . . . 74.25 110.623 175.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -75.59 -49.98 16.94 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.719 0.808 . . . . 75.21 111.648 178.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.487 ' O ' HG23 ' A' ' 54' ' ' VAL . 80.0 mtt-85 -71.52 -29.23 64.54 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 115.624 -0.716 . . . . 74.25 110.276 -175.065 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.14 -41.81 76.81 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 109.636 -0.505 . . . . 63.25 109.636 168.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.3 -31.67 71.51 Favored 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 123.372 0.669 . . . . 75.24 111.714 178.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 93.1 mt -62.81 -48.83 86.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 123.854 0.861 . . . . 64.15 109.663 172.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 50' ' ' ARG . 52.5 t -60.44 -42.73 92.18 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 C-N-CA 123.299 0.64 . . . . 63.23 110.708 -179.08 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -67.98 -41.69 81.95 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 115.344 -0.844 . . . . 73.21 110.774 179.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -65.89 -47.09 76.01 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.665 0.786 . . . . 71.42 111.749 -178.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -55.1 -37.38 66.76 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.515 0.726 . . . . 63.33 110.997 174.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -87.9 -10.69 49.91 Favored 'General case' 0 CA--C 1.551 0.987 0 CA-C-N 115.781 -0.645 . . . . 72.42 111.473 -178.261 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 70.05 37.43 1.71 Allowed 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 125.354 1.462 . . . . 75.52 113.236 176.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -80.09 103.54 10.04 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.086 0.954 . . . . 52.13 109.044 168.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.411 HG22 ' HB3' ' A' ' 101' ' ' GLU . 2.3 p -62.43 -48.39 79.88 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 122.775 0.43 . . . . 74.04 111.248 173.465 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -69.68 -36.81 76.31 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 123.99 0.806 . . . . 73.31 111.308 -177.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -65.58 -50.78 52.76 Favored Glycine 0 C--N 1.353 1.497 0 O-C-N 123.466 0.479 . . . . 73.21 112.242 176.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 65.2 tp -60.26 -39.98 88.72 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.449 1.1 . . . . 74.43 110.779 177.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.7 ttt180 -62.07 -46.0 91.06 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.576 1.15 . . . . 61.25 110.958 177.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.43 -43.53 80.95 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 115.915 -0.584 . . . . 54.35 110.002 -176.468 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.406 ' O ' ' HB2' ' A' ' 71' ' ' LEU . . . -70.13 -36.32 74.69 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.719 0.808 . . . . 71.5 111.393 -179.278 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -73.27 -38.16 66.02 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.697 0.799 . . . . 64.35 111.202 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.41 ' O ' ' HG2' ' A' ' 73' ' ' GLU . 64.3 tttt -71.54 -40.78 69.83 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 115.754 -0.657 . . . . 73.02 110.073 -178.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 40.6 m -68.55 -30.36 69.13 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.7 0.8 . . . . 70.11 111.16 174.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.493 ' O ' HG12 ' A' ' 75' ' ' ILE . 0.6 OUTLIER -62.09 -43.95 97.72 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 115.384 -0.825 . . . . 71.5 108.818 175.147 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -65.75 -38.74 89.93 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.75 0.82 . . . . 75.45 111.455 178.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' A' ' 69' ' ' LYS . 12.4 mm-40 -62.01 -31.65 72.05 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.114 0.565 . . . . 73.02 110.739 174.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.482 ' O ' HG13 ' A' ' 78' ' ' ILE . . . -72.25 -43.41 64.38 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 115.738 -0.664 . . . . 74.05 110.527 174.203 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.501 ' HA ' HD12 ' A' ' 78' ' ' ILE . 32.8 mm -59.78 -44.19 93.38 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.051 0 C-N-CA 123.398 0.679 . . . . 55.11 111.264 -174.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 22.3 p -67.83 -14.29 62.83 Favored 'General case' 0 CA--C 1.551 1.004 0 CA-C-N 115.656 -0.702 . . . . 73.1 112.152 -179.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -104.83 -12.46 16.27 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.934 0.894 . . . . 71.51 112.093 174.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.501 HD12 ' HA ' ' A' ' 75' ' ' ILE . 92.6 mt -72.54 132.6 83.49 Favored Pre-proline 0 N--CA 1.484 1.246 0 C-N-CA 123.396 0.678 . . . . 72.31 109.321 173.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.462 ' HG2' ' HB2' ' A' ' 82' ' ' GLU . 31.8 Cg_endo -61.65 154.58 59.14 Favored 'Trans proline' 0 C--N 1.375 1.937 0 C-N-CA 122.751 2.301 . . . . 64.54 111.015 173.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -70.97 -0.25 8.91 Favored 'General case' 0 CA--C 1.567 1.618 0 N-CA-C 112.707 0.632 . . . . 64.4 112.707 -171.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -120.4 -62.2 1.49 Allowed 'General case' 0 N--CA 1.484 1.245 0 O-C-N 121.294 -0.879 . . . . 62.31 112.078 175.139 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.462 ' HB2' ' HG2' ' A' ' 79' ' ' PRO . 35.9 mm-40 -63.08 99.19 0.16 Allowed 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.093 0.557 . . . . 75.15 112.328 -171.523 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.608 ' HA3' ' HG3' ' A' ' 42' ' ' ARG . . . 65.24 19.23 66.04 Favored Glycine 0 C--N 1.356 1.661 0 CA-C-N 115.216 -0.902 . . . . 70.12 113.965 179.519 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 23.3 tpt180 -72.17 -54.42 9.75 Favored 'General case' 0 C--O 1.225 -0.198 0 N-CA-C 107.561 -1.274 . . . . 75.1 107.561 173.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -76.0 69.84 2.64 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 108.133 -1.062 . . . . 74.31 108.133 170.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 177.43 -77.97 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.182 1.393 . . . . 71.02 108.505 -173.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.455 ' HA ' ' HE2' ' A' ' 90' ' ' MET . . . -72.85 -28.54 62.59 Favored 'General case' 0 C--N 1.35 0.627 0 C-N-CA 123.738 0.815 . . . . 71.21 112.252 -172.293 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -65.01 -38.99 92.75 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.879 0.872 . . . . 71.31 109.588 178.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.8 mp0 -73.85 -30.65 62.78 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 114.936 -1.029 . . . . 72.13 110.543 176.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.455 ' HE2' ' HA ' ' A' ' 87' ' ' ALA . 32.8 mtm -67.66 -34.81 77.68 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.018 0.527 . . . . 74.33 110.776 173.614 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.488 ' HA ' HD13 ' A' ' 71' ' ' LEU . . . -66.34 -34.67 78.5 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.42 0.688 . . . . 22.34 110.308 174.732 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.545 ' O ' ' HG2' ' A' ' 96' ' ' GLU . 18.7 mmtt -70.3 -37.34 74.76 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-N 114.928 -1.033 . . . . 71.13 110.899 174.677 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.614 ' HE2' ' HA ' ' A' ' 93' ' ' LYS . 8.8 mmpt? -58.27 -52.7 64.47 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 122.773 0.429 . . . . 61.53 110.681 178.361 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.04 -30.06 71.3 Favored 'General case' 0 CA--C 1.546 0.815 0 O-C-N 124.271 0.982 . . . . 61.21 111.806 179.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.438 ' O ' ' HG3' ' A' ' 99' ' ' GLN . 4.4 tm-20 -71.36 -44.09 65.69 Favored 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 123.965 0.906 . . . . 70.04 110.096 178.181 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.545 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 28.5 mm-40 -63.68 -41.01 98.21 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.76 0.824 . . . . 61.02 111.021 177.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 52.1 m0 -61.77 -45.23 94.8 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.054 -0.976 . . . . 65.14 110.313 178.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 34.5 tp -60.61 -32.67 71.8 Favored 'General case' 0 CA--C 1.547 0.843 0 O-C-N 124.176 0.923 . . . . 73.11 111.345 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.438 ' HG3' ' O ' ' A' ' 95' ' ' GLU . 70.3 mt-30 -64.44 -48.96 73.36 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.04 0.536 . . . . 75.42 110.498 176.028 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.05 -29.68 68.71 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 115.836 -0.62 . . . . 75.25 111.656 -178.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.411 ' HB3' HG22 ' A' ' 61' ' ' THR . 36.8 mm-40 -71.87 -13.74 61.75 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.781 0.833 . . . . 65.05 112.318 178.565 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -157.96 75.7 0.77 Allowed 'General case' 0 N--CA 1.474 0.768 0 CA-C-O 121.756 0.789 . . . . 31.24 109.562 175.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -113.57 144.65 42.52 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.405 0.682 . . . . 70.12 110.033 -176.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 55.1 m-80 . . . . . 0 CA--C 1.545 0.773 0 N-CA-C 108.67 -0.863 . . . . 73.23 108.67 174.052 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.18 0 CA-C-O 121.077 0.465 . . . . 54.11 110.802 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -78.2 12.38 1.91 Allowed 'General case' 0 CA--C 1.559 1.297 0 C-N-CA 124.199 1.0 . . . . 74.11 112.676 -178.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -51.26 -47.63 62.41 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.938 1.295 . . . . 75.41 111.799 178.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -69.24 -39.56 78.41 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 115.177 -0.92 . . . . 72.23 110.454 -177.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.482 HG23 HG23 ' A' ' 31' ' ' ILE . 66.4 mt -56.26 -45.49 81.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 124.195 0.998 . . . . 74.51 110.784 179.21 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.51 -40.0 71.22 Favored 'General case' 0 C--N 1.353 0.731 0 O-C-N 124.303 1.002 . . . . 73.44 111.528 -179.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -65.88 -47.69 74.0 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.386 0.675 . . . . 60.13 111.018 178.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -68.2 -28.33 67.17 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.206 0.603 . . . . 71.13 111.8 -173.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -73.46 -38.88 65.3 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.111 0.564 . . . . 73.23 110.793 177.069 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -70.66 -30.46 67.07 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.103 0.561 . . . . 75.33 110.357 176.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.87 -34.71 66.91 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.523 0.729 . . . . 61.41 110.03 174.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.567 ' CE2' ' HG ' ' A' ' 28' ' ' LEU . 0.6 OUTLIER -91.63 57.71 3.33 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 108.023 -1.102 . . . . 53.22 108.023 177.224 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.6 ttpm? -93.95 102.57 14.67 Favored 'General case' 0 C--O 1.248 1.017 0 N-CA-C 108.722 -0.844 . . . . 64.33 108.722 -176.147 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.7 tttm 64.81 21.05 12.29 Favored 'General case' 0 CA--C 1.553 1.076 0 O-C-N 124.162 0.914 . . . . 74.34 110.816 170.066 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.506 ' HB1' ' HE2' ' A' ' 24' ' ' MET . . . -84.95 67.67 10.26 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.426 1.09 . . . . 70.22 109.534 -176.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -139.5 12.34 2.54 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.939 0.896 . . . . 75.23 109.745 -175.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -134.21 177.02 8.08 Favored 'General case' 0 C--O 1.246 0.911 0 C-N-CA 123.396 0.678 . . . . 73.1 111.652 -168.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 72.15 13.67 5.74 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 125.104 1.362 . . . . 64.53 111.504 167.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 51.96 68.06 0.87 Allowed 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.467 1.107 . . . . 54.32 109.973 -172.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -129.56 158.19 39.97 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-N 114.984 -1.007 . . . . 71.02 108.944 -178.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -154.88 -36.83 0.02 OUTLIER Glycine 0 C--N 1.338 0.645 0 O-C-N 123.68 0.612 . . . . 55.24 113.455 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -61.17 -36.08 78.84 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.078 0.551 . . . . 65.43 111.027 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.7 mt -75.68 -4.4 40.08 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 112.935 0.717 . . . . 75.44 112.935 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.506 ' HE2' ' HB1' ' A' ' 15' ' ' ALA . 9.5 ptp -143.08 -170.75 3.32 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.572 0.749 . . . . 74.42 110.096 -174.045 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.04 -55.94 3.94 Favored Glycine 0 C--N 1.348 1.247 0 C-N-CA 123.096 0.379 . . . . 60.44 113.321 -177.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 62.5 mtp180 -55.06 -42.14 72.37 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.785 1.234 . . . . 70.52 111.383 178.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.405 ' HB3' ' HD2' ' A' ' 12' ' ' TYR . . . -60.52 -41.27 94.05 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 123.958 0.786 . . . . 74.53 111.063 178.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.567 ' HG ' ' CE2' ' A' ' 12' ' ' TYR . 54.1 mt -62.44 -48.35 80.06 Favored 'General case' 0 N--CA 1.484 1.226 0 O-C-N 123.634 0.584 . . . . 62.11 110.559 175.33 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -50.86 -45.08 59.68 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.586 1.154 . . . . 75.33 111.624 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 -65.08 -36.72 85.23 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.178 0.591 . . . . 63.45 111.785 179.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.482 HG23 HG23 ' A' ' 5' ' ' ILE . 67.3 mt -65.01 -37.05 79.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 122.861 0.464 . . . . 55.4 109.917 174.517 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -61.27 -42.11 99.69 Favored Glycine 0 C--N 1.349 1.294 0 CA-C-N 115.257 -0.883 . . . . 55.34 112.223 178.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 88.8 mt -57.94 -47.17 83.69 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.278 0.631 . . . . 35.51 110.134 176.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -57.61 -44.05 85.18 Favored 'General case' 0 CA--C 1.547 0.836 0 O-C-N 124.499 1.124 . . . . 53.21 111.858 177.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 44.6 mmtm -63.88 -46.68 83.83 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.458 0.703 . . . . 75.51 110.869 179.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -62.71 -37.7 87.53 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 124.402 1.064 . . . . 62.44 110.853 -175.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -70.02 -29.9 67.07 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 115.645 -0.707 . . . . 71.1 111.532 177.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 73.0 mtm -79.54 -2.05 40.51 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 122.826 0.451 . . . . 74.34 111.46 174.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.98 -4.89 84.88 Favored Glycine 0 C--N 1.352 1.454 0 C-N-CA 122.897 0.284 . . . . 71.12 112.862 -178.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -90.16 54.9 2.92 Favored 'General case' 0 C--O 1.238 0.495 0 C-N-CA 124.294 1.037 . . . . 74.42 110.103 -177.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.467 ' HA ' ' HB3' ' A' ' 44' ' ' ALA . . . -69.34 -15.83 63.41 Favored 'General case' 0 C--N 1.348 0.535 0 CA-C-N 114.454 -1.248 . . . . 42.24 111.98 -177.178 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.85 -52.02 64.74 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 108.575 -0.898 . . . . 62.4 108.575 175.422 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.435 ' O ' ' HB2' ' A' ' 46' ' ' GLU . 8.2 mp0 -69.63 -34.88 74.67 Favored 'General case' 0 C--O 1.217 -0.653 0 CA-C-N 115.02 -0.991 . . . . 74.02 110.333 176.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.467 ' HB3' ' HA ' ' A' ' 41' ' ' ALA . . . -57.01 -41.88 79.3 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 122.836 0.454 . . . . 64.03 111.03 176.143 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.83 -29.99 71.13 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 124.193 0.933 . . . . 74.21 111.691 179.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.435 ' HB2' ' O ' ' A' ' 43' ' ' GLU . 40.0 mm-40 -60.1 -52.75 64.0 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 123.611 0.569 . . . . 52.43 110.086 171.168 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.406 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 93.6 m-85 -65.77 -36.44 83.56 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.465 0.706 . . . . 63.22 111.821 -175.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -72.78 -32.25 65.46 Favored 'General case' 0 N--CA 1.479 0.976 0 O-C-N 123.664 0.603 . . . . 73.03 110.765 178.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.58 ' HE1' ' HB2' ' A' ' 93' ' ' LYS . 44.9 t80 -71.94 -50.55 28.0 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.002 0.521 . . . . 61.22 110.49 178.035 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 76.8 mtp180 -64.32 -37.07 86.19 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 124.049 0.843 . . . . 75.13 110.537 -178.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.08 -46.59 86.72 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 123.797 0.686 . . . . 75.02 109.656 173.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.8 -34.84 75.13 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 123.838 0.711 . . . . 65.42 111.502 -179.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.416 HG13 ' O ' ' A' ' 49' ' ' PHE . 68.7 mt -60.35 -50.44 80.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 C-N-CA 123.212 0.605 . . . . 63.52 109.598 173.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 72.1 t -61.82 -44.41 98.77 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.165 0 C-N-CA 124.03 0.932 . . . . 51.23 111.598 -177.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -67.4 -30.59 70.4 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.284 0.633 . . . . 72.23 111.211 178.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -69.72 -41.93 74.68 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.663 0.785 . . . . 74.2 111.01 176.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -60.16 -35.97 76.52 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.334 0.654 . . . . 71.34 111.196 172.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -85.09 -11.11 55.97 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 122.909 0.484 . . . . 63.31 112.014 176.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 81.6 m-70 60.78 25.67 15.51 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.307 1.043 . . . . 73.14 112.135 178.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -81.22 101.09 9.48 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.217 1.007 . . . . 72.14 108.355 176.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.432 HG22 ' HB3' ' A' ' 101' ' ' GLU . 18.0 p -59.86 -35.78 75.49 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.348 1.059 . . . . 74.11 112.029 -177.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -69.05 -50.8 45.3 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.428 0.691 . . . . 74.41 110.745 -175.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -70.85 -36.64 65.83 Favored Glycine 0 C--N 1.347 1.164 0 O-C-N 123.769 0.668 . . . . 74.45 113.11 179.105 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 65.6 tp -60.52 -47.28 86.86 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.766 0.826 . . . . 73.54 110.037 176.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 56.3 ttp180 -71.93 -29.03 63.87 Favored 'General case' 0 N--CA 1.476 0.873 0 O-C-N 124.474 1.109 . . . . 73.45 110.91 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -66.37 -49.58 66.4 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.014 0.526 . . . . 74.23 110.1 177.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.418 ' O ' ' HB2' ' A' ' 71' ' ' LEU . . . -74.03 -30.93 62.67 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.131 -0.941 . . . . 64.32 110.971 179.721 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.09 -44.47 76.17 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.115 0.566 . . . . 65.52 110.812 176.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.467 ' HA ' ' HE3' ' A' ' 72' ' ' LYS . 16.0 tppt? -60.3 -53.68 54.72 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 124.045 0.84 . . . . 72.24 109.45 177.181 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.1 t -64.55 -30.1 71.13 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 124.64 1.212 . . . . 61.52 111.039 -175.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.474 HD22 ' HB2' ' A' ' 91' ' ' ALA . 0.9 OUTLIER -60.34 -52.04 66.96 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.73 0.812 . . . . 71.24 108.922 173.768 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.467 ' HE3' ' HA ' ' A' ' 69' ' ' LYS . 8.9 mtmp? -66.83 -37.2 84.05 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.649 0.78 . . . . 64.22 111.615 -177.067 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 69' ' ' LYS . 9.9 mm-40 -74.82 -24.3 58.6 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 109.962 -0.385 . . . . 64.51 109.962 179.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.507 ' O ' HG13 ' A' ' 78' ' ' ILE . . . -70.32 -37.67 74.77 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-O 119.017 -0.516 . . . . 64.54 109.941 171.426 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.44 ' HA ' HD12 ' A' ' 78' ' ' ILE . 37.2 mm -53.68 -44.49 58.55 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 C-N-CA 123.931 0.892 . . . . 74.52 112.5 -173.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 11.9 t -69.52 -30.44 68.28 Favored 'General case' 0 CA--C 1.551 1.006 0 O-C-N 123.268 0.355 . . . . 71.1 110.71 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -85.22 -8.54 58.51 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.035 0.934 . . . . 74.22 111.828 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.507 HG13 ' O ' ' A' ' 74' ' ' ALA . 38.1 mt -68.87 141.24 92.13 Favored Pre-proline 0 N--CA 1.484 1.241 0 C-N-CA 123.724 0.81 . . . . 54.5 111.337 -179.503 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.431 ' O ' HG22 ' A' ' 78' ' ' ILE . 32.4 Cg_exo -44.77 147.3 1.89 Allowed 'Trans proline' 0 C--N 1.381 2.251 0 C-N-CA 123.887 3.058 . . . . 65.52 114.539 165.054 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -80.88 -17.74 49.6 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 124.273 1.029 . . . . 64.2 112.134 -167.147 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -68.49 -70.77 0.25 Allowed 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.266 0.626 . . . . 60.01 112.254 -167.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -118.07 -32.27 4.79 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.156 0.583 . . . . 65.34 111.585 -171.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -65.08 -23.46 69.65 Favored Glycine 0 C--N 1.345 1.064 0 N-CA-C 115.095 0.798 . . . . 63.2 115.095 -168.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 -64.54 -51.45 62.79 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 109.574 -0.528 . . . . 54.52 109.574 177.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -86.3 14.9 5.84 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 112.84 0.682 . . . . 72.33 112.84 -171.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.83 -49.85 0.7 Allowed 'General case' 0 N--CA 1.484 1.27 0 O-C-N 121.954 -0.466 . . . . 71.15 111.769 177.36 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -75.43 -34.34 60.99 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 112.038 0.385 . . . . 73.34 112.038 -176.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -63.35 -29.45 70.76 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.345 0.658 . . . . 73.25 110.208 176.043 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.586 ' HA ' ' HD3' ' A' ' 92' ' ' LYS . 6.5 mm-40 -73.28 -39.41 65.38 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.71 0.804 . . . . 63.04 110.502 178.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 47.0 mtm -63.66 -34.0 76.87 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 116.054 -0.521 . . . . 75.03 110.738 174.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.474 ' HB2' HD22 ' A' ' 71' ' ' LEU . . . -61.34 -26.89 68.11 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 115.523 -0.762 . . . . 60.44 111.792 177.213 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.586 ' HD3' ' HA ' ' A' ' 89' ' ' GLU . 14.1 mptt -60.95 -43.05 99.25 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 123.215 0.322 . . . . 64.31 110.592 173.02 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.58 ' HB2' ' HE1' ' A' ' 49' ' ' PHE . 73.4 mmtt -59.6 -46.64 88.37 Favored 'General case' 0 N--CA 1.48 1.046 0 O-C-N 123.713 0.633 . . . . 70.21 110.175 -179.128 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.46 -32.35 68.65 Favored 'General case' 0 CA--C 1.548 0.903 0 O-C-N 124.431 1.082 . . . . 74.41 111.855 178.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.413 ' O ' ' HG3' ' A' ' 99' ' ' GLN . 48.1 mt-10 -72.12 -47.86 48.01 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.523 0.729 . . . . 43.01 110.28 174.589 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.438 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 32.3 mm-40 -60.86 -37.65 82.86 Favored 'General case' 0 N--CA 1.483 1.189 0 O-C-N 123.996 0.81 . . . . 75.31 111.446 -175.164 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 29.5 m0 -68.82 -43.45 75.55 Favored 'General case' 0 C--O 1.224 -0.249 0 O-C-N 124.192 0.932 . . . . 72.5 110.193 177.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 52.6 tp -61.9 -43.71 98.28 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 123.56 0.537 . . . . 75.02 110.828 179.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.413 ' HG3' ' O ' ' A' ' 95' ' ' GLU . 74.8 mt-30 -67.7 -30.69 70.27 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.656 0.782 . . . . 65.52 110.655 -179.49 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -69.85 -41.63 74.64 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.483 0.713 . . . . 71.1 110.755 175.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.432 ' HB3' HG22 ' A' ' 61' ' ' THR . 61.5 mm-40 -74.6 -28.52 60.94 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.524 0.73 . . . . 63.32 111.681 -178.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -87.14 76.05 9.32 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.399 0.68 . . . . 75.51 109.344 178.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -79.64 122.21 26.25 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 115.152 -0.931 . . . . 75.14 108.896 178.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 55.6 m-20 . . . . . 0 CA--C 1.558 1.262 0 C-N-CA 125.241 1.416 . . . . 63.35 109.434 -173.014 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.63 0 N-CA-C 109.022 -0.733 . . . . 44.42 109.022 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -159.78 32.39 0.18 Allowed 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 115.658 -0.701 . . . . 74.34 110.669 -173.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -64.45 -63.56 1.1 Allowed 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.238 0.615 . . . . 75.54 110.687 -178.149 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -62.9 -32.46 73.74 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 122.748 0.419 . . . . 32.42 110.727 179.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 68.7 mt -60.33 -41.19 86.28 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.219 0 C-N-CA 124.284 1.034 . . . . 72.23 111.172 175.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.484 ' O ' ' HG2' ' A' ' 10' ' ' LYS . . . -58.81 -34.82 71.94 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.546 0.738 . . . . 72.34 111.341 -177.346 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 53.6 tttm -58.99 -48.22 82.36 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.861 0.864 . . . . 73.55 110.733 174.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -69.72 -30.47 68.09 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 115.862 -0.608 . . . . 72.14 110.799 -177.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -64.13 -50.53 67.88 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.721 0.808 . . . . 64.34 110.824 176.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.484 ' HG2' ' O ' ' A' ' 6' ' ' ALA . 74.1 mmtt -64.68 -43.63 92.93 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.242 0.617 . . . . 73.31 110.926 -177.715 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.09 -43.98 85.74 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 115.139 -0.937 . . . . 55.04 111.924 -176.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.431 ' CE2' ' HG ' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -92.29 116.79 29.27 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 122.947 0.499 . . . . 74.55 109.817 -175.49 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.2 tpmt? -159.46 5.27 0.09 Allowed 'General case' 0 N--CA 1.481 1.092 0 O-C-N 123.799 0.687 . . . . 74.12 110.847 172.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.558 ' HB2' ' SD ' ' A' ' 24' ' ' MET . 95.4 mttt -115.92 -41.93 3.14 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 113.601 0.963 . . . . 64.45 113.601 -163.256 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.89 81.04 2.14 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 122.635 0.374 . . . . 74.4 111.6 -175.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 159.09 -36.32 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 127.998 2.519 . . . . 53.1 107.479 173.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -68.52 -61.7 1.72 Allowed 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 115.034 -0.985 . . . . 75.01 109.251 174.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.509 HD23 ' N ' ' A' ' 19' ' ' ASN . 7.5 tt -102.35 162.82 12.62 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 107.321 -1.362 . . . . 65.43 107.321 170.055 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.509 ' N ' HD23 ' A' ' 18' ' ' LEU . 2.4 m-20 -46.07 -66.1 0.45 Allowed 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.879 1.271 . . . . 72.14 111.394 178.613 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 75.7 mm-40 52.99 -155.83 0.19 Allowed 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 123.927 0.891 . . . . 60.42 113.053 169.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 120.87 163.19 11.96 Favored Glycine 0 C--N 1.347 1.173 0 CA-C-O 119.865 -0.408 . . . . 72.52 113.436 165.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 67.51 -59.6 0.4 Allowed 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 125.879 1.672 . . . . 74.14 111.278 -172.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 71.6 mt -43.0 -37.71 2.0 Allowed 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 125.745 1.618 . . . . 72.31 112.079 172.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.558 ' SD ' ' HB2' ' A' ' 14' ' ' LYS . 11.4 mtm -121.29 172.06 8.29 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.327 1.051 . . . . 74.43 109.58 175.41 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.77 -44.66 1.49 Allowed Glycine 0 N--CA 1.468 0.798 0 N-CA-C 109.544 -1.422 . . . . 73.43 109.544 -170.384 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.3 tpp180 -59.88 -40.44 88.69 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 124.136 0.975 . . . . 74.43 109.631 174.035 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.29 -43.21 78.63 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.069 0.948 . . . . 74.45 111.417 176.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.541 HD23 HD12 ' A' ' 31' ' ' ILE . 36.5 mt -65.07 -45.71 84.21 Favored 'General case' 0 C--N 1.361 1.077 0 O-C-N 123.482 0.488 . . . . 61.42 110.854 178.381 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.413 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 78.5 t80 -52.74 -42.17 64.69 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.04 0.936 . . . . 75.1 110.625 175.163 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.427 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 18.8 m120 -73.1 -31.15 64.16 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 123.671 0.788 . . . . 73.23 112.696 -177.66 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.541 HD12 HD23 ' A' ' 28' ' ' LEU . 73.4 mt -65.95 -38.82 82.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 N-CA-C 109.189 -0.671 . . . . 71.5 109.189 172.185 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.475 ' HA2' ' HA ' ' A' ' 44' ' ' ALA . . . -61.03 -40.28 98.28 Favored Glycine 0 C--N 1.349 1.275 0 CA-C-N 114.289 -1.323 . . . . 72.44 112.042 175.461 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 29' ' ' TYR . 83.0 mt -59.79 -41.67 91.68 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.088 0.555 . . . . 72.12 110.726 177.627 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 30' ' ' ASN . 14.9 mm-40 -72.25 -38.88 68.79 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.17 0.588 . . . . 73.1 112.106 -175.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -77.12 -32.79 56.71 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 111.445 0.165 . . . . 64.51 111.445 -179.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -67.94 -33.11 74.05 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 109.419 -0.586 . . . . 73.23 109.419 173.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -65.82 -36.34 83.21 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 125.154 1.381 . . . . 72.12 110.652 175.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 68.9 mtm -91.61 10.15 29.25 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.606 0.762 . . . . 72.4 111.62 178.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 92.73 -15.64 62.12 Favored Glycine 0 C--N 1.357 1.696 0 N-CA-C 114.395 0.518 . . . . 70.42 114.395 171.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 40.2 mtmt -84.35 70.05 10.57 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 123.752 0.821 . . . . 74.33 109.741 -177.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.48 -15.03 61.33 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 114.881 -1.054 . . . . 74.23 112.776 -173.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.4 ttp180 -71.53 -53.14 14.81 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.324 0.649 . . . . 75.53 111.112 176.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -59.17 -44.0 92.13 Favored 'General case' 0 N--CA 1.48 1.075 0 O-C-N 123.787 0.679 . . . . 74.33 109.456 175.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.475 ' HA ' ' HA2' ' A' ' 32' ' ' GLY . . . -53.73 -45.12 70.4 Favored 'General case' 0 C--N 1.346 0.414 0 CA-C-N 114.197 -1.365 . . . . 64.11 111.636 178.22 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.42 -38.01 85.57 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 124.223 0.952 . . . . 62.33 111.899 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -64.48 -39.03 93.03 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.172 0.589 . . . . 74.4 110.689 177.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.502 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 55.2 m-85 -71.46 -35.73 70.96 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.17 0.588 . . . . 75.21 112.015 -179.743 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.419 ' O ' ' HB1' ' A' ' 67' ' ' ALA . 23.3 m-85 -65.88 -38.83 89.82 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 123.698 0.623 . . . . 74.23 110.146 174.063 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -64.18 -51.55 63.22 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.4 0.68 . . . . 75.32 110.92 178.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -61.02 -37.41 82.44 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.756 0.823 . . . . 74.21 110.845 179.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.47 -49.57 77.05 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 115.332 -0.849 . . . . 63.43 109.794 175.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.33 -31.42 71.28 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 114.8 -1.091 . . . . 71.41 111.901 -177.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.422 HG22 ' HE3' ' A' ' 57' ' ' LYS . 87.9 mt -59.07 -48.65 86.02 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 C-N-CA 123.748 0.819 . . . . 74.1 110.458 174.178 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 40.1 t -66.93 -41.16 87.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 123.732 0.813 . . . . 64.44 110.228 -177.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -72.77 -26.68 61.63 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 111.94 0.348 . . . . 74.53 111.94 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -70.49 -49.25 50.37 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 122.944 0.497 . . . . 72.23 111.211 177.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.422 ' HE3' HG22 ' A' ' 53' ' ' ILE . 17.0 ptpt -66.94 -28.13 68.04 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.156 0.582 . . . . 73.23 112.274 178.049 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.34 -11.53 56.18 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 122.841 0.456 . . . . 71.33 111.219 171.285 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 59.24 27.94 17.12 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 124.671 1.188 . . . . 71.03 111.535 -177.231 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -79.49 89.83 5.06 Favored 'General case' 0 C--N 1.349 0.581 0 N-CA-C 108.095 -1.076 . . . . 63.43 108.095 174.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 55.8 p -60.96 -26.38 67.49 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 114.628 -1.169 . . . . 75.54 112.028 -175.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.469 ' O ' ' HG2' ' A' ' 66' ' ' ARG . 8.6 t70 -61.7 -61.92 2.17 Favored 'General case' 0 C--N 1.353 0.752 0 O-C-N 123.727 0.642 . . . . 73.21 110.716 178.058 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -69.48 -33.66 72.72 Favored Glycine 0 C--N 1.348 1.207 0 O-C-N 124.037 0.835 . . . . 54.52 112.616 -173.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 65.1 tp -61.91 -43.75 98.2 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.022 0.929 . . . . 65.22 110.02 174.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 21.5 ttt180 -71.7 -34.97 70.06 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 115.642 -0.708 . . . . 75.15 110.606 178.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.469 ' HG2' ' O ' ' A' ' 62' ' ' ASP . 30.6 mmt180 -60.31 -48.36 82.06 Favored 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 109.565 -0.532 . . . . 74.14 109.565 176.592 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.419 ' HB1' ' O ' ' A' ' 48' ' ' PHE . . . -66.42 -44.43 82.94 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 114.915 -1.039 . . . . 71.43 111.491 -177.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.81 -40.53 91.97 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.758 0.823 . . . . 74.24 112.225 -179.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -72.28 -39.81 68.06 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.538 1.135 . . . . 61.34 109.68 -178.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 20.8 t -72.22 -30.3 64.78 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.644 0.778 . . . . 71.11 110.57 178.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.496 HD13 ' HA ' ' A' ' 91' ' ' ALA . 4.3 mt -60.72 -53.71 54.05 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.156 0.982 . . . . 73.44 111.097 177.508 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -58.45 -39.92 81.19 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 123.58 0.752 . . . . 74.15 111.419 -177.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -73.04 -32.2 64.91 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 115.846 -0.615 . . . . 74.33 110.758 177.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.545 ' O ' HG13 ' A' ' 78' ' ' ILE . . . -65.44 -31.81 73.1 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 116.283 -0.417 . . . . 74.11 110.496 175.383 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.411 HG12 ' O ' ' A' ' 71' ' ' LEU . 17.1 mm -66.29 -49.8 73.03 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 C-N-CA 123.233 0.613 . . . . 73.03 111.037 -177.091 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.0 t -67.68 -17.08 64.46 Favored 'General case' 0 CA--C 1.551 1.001 0 CA-C-N 116.019 -0.537 . . . . 71.3 110.767 176.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.39 -16.39 29.19 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.022 0.929 . . . . 72.04 112.428 177.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.545 HG13 ' O ' ' A' ' 74' ' ' ALA . 64.7 mt -67.29 115.44 26.15 Favored Pre-proline 0 N--CA 1.484 1.232 0 N-CA-C 108.847 -0.797 . . . . 72.0 108.847 176.424 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -71.4 -23.03 24.28 Favored 'Trans proline' 0 C--N 1.376 1.986 0 C-N-CA 122.624 2.216 . . . . 75.41 111.595 175.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -83.4 119.89 25.2 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.729 1.212 . . . . 54.23 109.153 -174.381 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -65.49 -51.56 59.13 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.212 0.605 . . . . 73.04 110.617 -176.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -67.04 -18.52 65.4 Favored 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 123.9 0.88 . . . . 74.05 110.985 176.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -74.09 -24.64 73.2 Favored Glycine 0 C--N 1.35 1.332 0 CA-C-N 116.234 -0.439 . . . . 54.22 113.44 175.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 90.4 mtm-85 -80.92 -17.97 48.74 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 122.666 0.387 . . . . 62.34 110.485 171.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 52.4 tttm -86.67 44.1 1.13 Allowed 'General case' 0 CA--C 1.558 1.251 0 C-N-CA 124.14 0.976 . . . . 54.24 110.184 177.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -173.46 -51.41 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.866 0.866 . . . . 52.22 109.873 -179.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.469 ' HA ' ' HE2' ' A' ' 90' ' ' MET . . . -77.08 -27.99 54.41 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.522 -0.763 . . . . 74.1 111.864 -172.029 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -69.86 -29.66 66.95 Favored 'General case' 0 CA--C 1.547 0.83 0 O-C-N 123.381 0.425 . . . . 54.41 110.51 178.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -66.87 -34.36 77.62 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.782 0.833 . . . . 70.33 110.534 174.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.469 ' HE2' ' HA ' ' A' ' 87' ' ' ALA . 50.2 mtm -74.8 -34.62 62.44 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.845 0.858 . . . . 73.22 110.438 176.194 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.496 ' HA ' HD13 ' A' ' 71' ' ' LEU . . . -61.17 -40.91 95.67 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 124.053 0.846 . . . . 74.43 110.514 174.665 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.473 ' O ' ' HG2' ' A' ' 96' ' ' GLU . 29.2 mmtp -71.81 -39.47 69.81 Favored 'General case' 0 C--O 1.216 -0.68 0 CA-C-N 115.064 -0.971 . . . . 73.13 111.21 176.693 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.3 mmtm -56.11 -49.76 72.96 Favored 'General case' 0 N--CA 1.494 1.728 0 C-N-CA 123.452 0.701 . . . . 62.34 111.31 178.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.465 ' HA ' ' CE3' ' A' ' 97' ' ' TRP . . . -67.7 -32.14 72.59 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.212 0.605 . . . . 71.3 111.792 179.341 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.24 -35.18 68.77 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 123.414 0.685 . . . . 71.33 109.866 178.222 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 13.2 mm-40 -70.43 -31.62 68.88 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.513 0.725 . . . . 73.44 110.234 178.375 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . 0.465 ' CE3' ' HA ' ' A' ' 94' ' ' ALA . 38.0 m0 -68.97 -38.13 79.2 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 123.698 0.624 . . . . 61.25 110.297 173.351 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 48.0 tp -64.0 -42.51 97.15 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 123.539 0.524 . . . . 75.52 110.155 176.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 -67.17 -29.88 69.7 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.568 0.747 . . . . 74.04 111.123 177.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.01 -42.57 84.73 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.372 0.669 . . . . 64.21 110.656 175.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -66.13 -48.23 71.52 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.561 0.744 . . . . 74.41 110.98 178.137 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -61.97 108.39 1.03 Allowed 'General case' 0 N--CA 1.475 0.793 0 O-C-N 123.896 0.748 . . . . 71.45 109.937 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -148.76 107.63 3.85 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.714 0.806 . . . . 63.22 109.111 -178.205 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 9.6 t30 . . . . . 0 CA--C 1.563 1.478 0 C-N-CA 125.058 1.343 . . . . 74.03 110.274 -179.413 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.442 ' HB3' ' SD ' ' A' ' 38' ' ' MET . . . . . . . . 0 N--CA 1.479 0.976 0 N-CA-C 109.263 -0.643 . . . . 71.33 109.263 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -135.03 66.52 1.52 Allowed 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 124.011 0.924 . . . . 64.31 111.11 -176.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -114.25 -55.46 2.49 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 108.053 -1.091 . . . . 54.33 108.053 171.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -68.97 -42.34 76.71 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.881 0.873 . . . . 73.23 109.923 177.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.718 HG23 HG23 ' A' ' 31' ' ' ILE . 68.7 mt -60.36 -47.0 94.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 125.086 1.354 . . . . 75.14 110.699 175.171 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.66 -34.53 71.33 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 124.033 0.833 . . . . 64.21 111.443 179.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -67.7 -41.62 83.31 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.736 0.814 . . . . 74.35 110.83 178.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -69.39 -36.37 76.7 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.012 0.525 . . . . 72.23 111.299 -178.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.45 ' HG2' HD13 ' A' ' 31' ' ' ILE . 49.6 mt-10 -72.67 -28.28 62.62 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.566 0.746 . . . . 74.32 110.962 177.001 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -73.68 -34.4 64.86 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.232 0.613 . . . . 71.03 110.196 174.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.73 -33.05 64.18 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.382 0.673 . . . . 73.22 111.044 178.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.461 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 3.6 t80 -83.2 123.03 29.16 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 108.676 -0.861 . . . . 74.34 108.676 178.229 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -80.12 -95.37 0.04 OUTLIER 'General case' 0 CA--C 1.553 1.061 0 N-CA-C 109.63 -0.507 . . . . 55.23 109.63 174.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -142.11 -32.34 0.51 Allowed 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 123.609 0.764 . . . . 62.12 110.012 176.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 79.35 -35.67 0.16 Allowed 'General case' 0 N--CA 1.495 1.795 0 C-N-CA 125.879 1.672 . . . . 60.25 112.935 177.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -74.23 -10.69 59.86 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.973 0.909 . . . . 73.12 112.744 179.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -56.25 -36.68 68.82 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 124.681 1.193 . . . . 64.24 111.59 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.8 tt -153.15 149.65 28.26 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 106.692 -1.596 . . . . 65.14 106.692 -178.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -67.73 87.58 0.23 Allowed 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.187 0.595 . . . . 72.55 110.328 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.2 pt20 -158.51 43.64 0.28 Allowed 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.984 0.913 . . . . 63.54 110.36 -176.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.81 -26.16 66.66 Favored Glycine 0 C--N 1.347 1.188 0 CA-C-N 114.843 -1.071 . . . . 62.33 114.347 -174.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -59.89 -20.01 54.74 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 124.794 1.238 . . . . 74.55 113.153 -176.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.3 mt -88.23 -34.32 17.8 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.553 0.741 . . . . 62.11 112.576 -175.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.42 ' HB3' ' CE2' ' A' ' 12' ' ' TYR . 3.8 mpp? -114.77 -26.47 7.81 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 113.52 0.933 . . . . 71.53 113.52 -171.353 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -50.34 -39.64 36.34 Favored Glycine 0 N--CA 1.483 1.828 0 N-CA-C 115.893 1.117 . . . . 71.1 115.893 -168.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 51.7 mtp180 -73.03 -27.16 61.61 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.167 0.587 . . . . 74.51 112.153 -179.027 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.466 ' O ' HG13 ' A' ' 31' ' ' ILE . . . -59.28 -46.68 87.88 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 122.83 0.452 . . . . 73.43 110.887 -179.6 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.619 HD23 HD12 ' A' ' 31' ' ' ILE . 12.6 mt -60.22 -39.14 85.57 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 123.574 0.546 . . . . 74.21 111.262 175.666 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -59.54 -41.05 89.19 Favored 'General case' 0 CA--C 1.547 0.851 0 O-C-N 123.894 0.746 . . . . 72.32 110.632 177.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 62.1 m-80 -67.59 -34.97 78.09 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.017 0.527 . . . . 74.4 111.729 178.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.718 HG23 HG23 ' A' ' 5' ' ' ILE . 50.7 mt -67.24 -38.42 80.96 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.215 0 CA-C-O 121.442 0.639 . . . . 72.02 109.739 178.597 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.89 -46.92 92.58 Favored Glycine 0 C--N 1.349 1.263 0 CA-C-N 114.791 -1.095 . . . . 52.33 111.831 174.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 91.1 mt -57.62 -36.08 71.32 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.65 0.78 . . . . 75.12 111.581 179.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -62.42 -51.75 66.3 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.648 0.779 . . . . 70.41 111.791 178.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.469 ' HB3' ' HB2' ' A' ' 40' ' ' LYS . 89.5 mttt -71.33 -37.66 71.72 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 122.801 0.441 . . . . 74.24 111.602 -178.21 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -60.67 -41.4 94.99 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.969 0.907 . . . . 73.33 110.273 179.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 48.9 tttm -67.9 -29.59 68.72 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 125.3 1.44 . . . . 71.45 111.264 178.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.442 ' SD ' ' HB3' ' A' ' 1' ' ' ALA . 71.3 mtm -87.09 0.91 54.49 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 123.366 0.666 . . . . 53.45 111.804 174.76 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 92.3 -9.46 76.15 Favored Glycine 0 C--N 1.353 1.496 0 C-N-CA 123.048 0.356 . . . . 63.51 113.814 178.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.469 ' HB2' ' HB3' ' A' ' 35' ' ' LYS . 58.3 mttm -78.45 64.78 3.6 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.531 1.132 . . . . 60.45 109.72 176.639 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.11 -20.02 46.02 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.632 0.773 . . . . 65.54 112.389 -170.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? -69.41 -46.39 66.96 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 108.795 -0.816 . . . . 60.35 108.795 172.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -64.78 -41.38 95.88 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 114.532 -1.213 . . . . 74.05 110.61 178.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.18 -44.22 87.9 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 124.403 1.081 . . . . 72.23 111.513 176.132 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.62 -33.75 68.57 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 124.62 1.2 . . . . 65.03 111.944 -178.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -63.17 -47.36 82.98 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 124.003 0.921 . . . . 70.45 110.713 177.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.448 ' HE2' ' HD2' ' A' ' 35' ' ' LYS . 86.0 m-85 -69.88 -36.4 75.42 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 115.559 -0.746 . . . . 71.1 111.377 -178.136 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.495 ' HB2' ' HG ' ' A' ' 71' ' ' LEU . 20.4 m-85 -66.95 -34.12 77.06 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 123.892 0.745 . . . . 73.25 110.765 176.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -70.27 -51.98 26.39 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 123.701 0.626 . . . . 74.22 111.202 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.463 ' O ' HG23 ' A' ' 54' ' ' VAL . 99.5 mtt180 -62.55 -38.16 88.97 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 124.101 0.876 . . . . 73.24 110.368 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.2 -45.42 93.21 Favored 'General case' 0 C--N 1.354 0.775 0 O-C-N 123.796 0.685 . . . . 75.14 110.03 173.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.61 -36.0 81.36 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.733 0.813 . . . . 34.13 112.037 -178.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 98.0 mt -60.32 -41.99 89.14 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 C-N-CA 123.751 0.82 . . . . 71.22 110.118 174.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 50' ' ' ARG . 49.5 t -73.65 -35.05 43.18 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 CA-C-N 115.234 -0.894 . . . . 74.15 110.777 -178.484 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -70.95 -28.56 64.56 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.247 0.619 . . . . 75.05 111.217 175.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.408 ' CD1' ' HB3' ' A' ' 97' ' ' TRP . 34.5 t80 -77.26 -47.51 19.94 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.31 0.644 . . . . 64.34 111.584 -178.308 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.0 -34.93 75.58 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.003 0.521 . . . . 63.11 112.325 176.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -84.27 -11.93 55.57 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 122.566 0.347 . . . . 60.23 110.817 175.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 63.81 33.85 12.39 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 125.534 1.534 . . . . 73.21 112.363 177.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -80.79 93.1 6.16 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 108.371 -0.974 . . . . 55.24 108.371 175.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.421 HG22 ' HB3' ' A' ' 101' ' ' GLU . 6.9 p -54.63 -39.47 67.97 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.156 0.982 . . . . 72.21 112.869 -178.376 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -62.25 -54.08 45.87 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.859 0.724 . . . . 75.45 111.087 -179.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -73.08 -34.54 58.36 Favored Glycine 0 C--N 1.342 0.887 0 O-C-N 124.265 0.978 . . . . 64.43 113.113 -173.428 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.513 HD23 ' HG3' ' A' ' 101' ' ' GLU . 51.4 tp -64.28 -45.54 87.57 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.282 0.633 . . . . 74.44 109.919 175.437 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.465 ' O ' ' HG2' ' A' ' 69' ' ' LYS . 43.3 ttt-85 -60.05 -41.94 93.4 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 124.19 0.931 . . . . 71.32 110.759 173.112 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.0 ttt180 -65.15 -42.09 94.12 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.517 1.127 . . . . 72.11 110.15 -174.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.529 ' O ' ' HB2' ' A' ' 71' ' ' LEU . . . -75.04 -34.39 61.85 Favored 'General case' 0 C--N 1.346 0.448 0 CA-C-N 114.493 -1.231 . . . . 65.31 110.727 178.093 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.8 -47.66 68.48 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.08 0.952 . . . . 52.31 112.058 -177.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.465 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 70.2 mmtt -68.1 -48.23 66.06 Favored 'General case' 0 C--O 1.22 -0.498 0 CA-C-N 115.303 -0.862 . . . . 75.3 109.99 179.706 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 13.6 t -63.71 -29.93 71.09 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.384 0.673 . . . . 53.02 111.333 -178.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.529 ' HB2' ' O ' ' A' ' 67' ' ' ALA . 0.9 OUTLIER -63.27 -51.9 64.26 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.959 0.904 . . . . 72.15 108.732 173.638 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.7 ttpp -66.07 -31.81 72.91 Favored 'General case' 0 CA--C 1.552 1.043 0 CA-C-N 114.611 -1.177 . . . . 75.42 111.397 -177.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' A' ' 69' ' ' LYS . 23.9 mm-40 -74.67 -30.41 61.57 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.455 0.702 . . . . 70.13 109.845 176.346 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.441 ' O ' HG13 ' A' ' 78' ' ' ILE . . . -68.99 -34.54 75.47 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 116.068 -0.514 . . . . 44.55 110.209 174.334 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.412 HG12 ' O ' ' A' ' 71' ' ' LEU . 23.5 mm -62.92 -46.36 96.53 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 C-N-CA 123.032 0.533 . . . . 63.34 112.022 -176.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 14.7 t -71.16 -15.21 62.48 Favored 'General case' 0 CA--C 1.551 0.987 0 CA-C-N 115.798 -0.637 . . . . 64.43 111.211 179.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -100.89 0.26 38.12 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 124.113 0.965 . . . . 64.43 112.149 177.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 74' ' ' ALA . 62.8 mt -69.55 131.08 90.05 Favored Pre-proline 0 N--CA 1.486 1.333 0 C-N-CA 122.986 0.514 . . . . 75.34 109.902 176.673 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -56.81 115.39 2.45 Favored 'Trans proline' 0 C--N 1.371 1.72 0 C-N-CA 122.389 2.059 . . . . 74.4 110.77 163.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.577 ' HG3' ' HG3' ' A' ' 84' ' ' ARG . 34.1 tt0 -77.05 75.37 3.62 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-O 121.75 0.786 . . . . 75.4 112.007 -169.75 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -130.66 -53.42 1.07 Allowed 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 106.882 -1.525 . . . . 70.31 106.882 169.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -116.29 -178.82 3.5 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.371 1.069 . . . . 72.23 109.15 169.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 66.71 -135.18 32.86 Favored Glycine 0 C--N 1.349 1.304 0 CA-C-O 119.287 -0.73 . . . . 25.22 111.986 -175.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.577 ' HG3' ' HG3' ' A' ' 80' ' ' GLU . 18.5 mmt180 65.66 -65.73 0.17 Allowed 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 125.145 1.378 . . . . 51.33 113.616 170.442 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.403 ' NZ ' ' HB2' ' A' ' 85' ' ' LYS . 4.8 ttmp? -86.5 -54.68 4.27 Favored 'General case' 0 C--O 1.241 0.65 0 C-N-CA 123.753 0.821 . . . . 64.53 110.396 176.307 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.92 -38.8 61.7 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 115.118 -0.947 . . . . 70.41 111.303 -173.5 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.46 -27.88 63.57 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.241 -0.436 . . . . 73.11 110.493 176.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.5 ' HB2' ' O ' ' A' ' 84' ' ' ARG . 77.5 tttt -72.84 -30.35 63.95 Favored 'General case' 0 C--O 1.214 -0.8 0 CA-C-N 116.314 -0.403 . . . . 63.05 110.807 177.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -53.75 -37.36 63.32 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.192 0.597 . . . . 70.42 110.238 174.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 49.3 mtm -67.57 -40.57 84.89 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 114.5 -1.227 . . . . 64.21 110.968 177.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.451 ' HA ' HD13 ' A' ' 71' ' ' LEU . . . -62.55 -44.09 97.21 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.294 0.637 . . . . 62.31 110.331 175.506 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.517 ' O ' ' HG2' ' A' ' 96' ' ' GLU . 83.3 mttt -60.31 -42.12 94.9 Favored 'General case' 0 C--N 1.352 0.708 0 O-C-N 124.353 1.033 . . . . 55.54 109.906 179.625 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 67.6 mmtt -57.99 -50.86 71.94 Favored 'General case' 0 N--CA 1.482 1.166 0 O-C-N 124.478 1.111 . . . . 73.01 111.014 178.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.64 -33.12 74.39 Favored 'General case' 0 CA--C 1.547 0.846 0 O-C-N 124.219 0.949 . . . . 52.04 111.435 -179.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -73.68 -38.19 65.0 Favored 'General case' 0 CA--C 1.55 0.97 0 CA-C-N 115.348 -0.842 . . . . 73.54 110.86 174.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.517 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 32.8 mm-40 -60.7 -47.19 87.38 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 123.78 0.832 . . . . 71.23 110.065 179.352 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . 0.529 ' O ' ' HG2' ' A' ' 101' ' ' GLU . 39.0 m0 -62.09 -44.32 96.91 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-N 114.023 -1.444 . . . . 71.54 110.119 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.42 ' O ' ' HG2' ' A' ' 102' ' ' GLN . 54.3 tp -59.24 -45.98 89.71 Favored 'General case' 0 CA--C 1.549 0.92 0 O-C-N 124.245 0.966 . . . . 73.42 111.875 179.37 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -61.25 -35.5 77.44 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 123.882 0.873 . . . . 71.0 110.929 177.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -75.06 -30.99 61.15 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 115.095 -0.957 . . . . 71.22 111.096 179.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.529 ' HG2' ' O ' ' A' ' 97' ' ' TRP . 16.9 mm-40 -71.41 -25.72 62.45 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.794 0.837 . . . . 73.34 111.074 176.388 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.42 ' HG2' ' O ' ' A' ' 98' ' ' LEU . 72.1 mm-40 -74.97 94.45 2.84 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 108.522 -0.918 . . . . 74.35 108.522 174.718 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -66.79 98.72 0.56 Allowed 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 109.228 -0.656 . . . . 64.23 109.228 179.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 6.9 t30 . . . . . 0 C--O 1.249 1.037 0 C-N-CA 124.306 1.042 . . . . 55.21 108.327 -177.858 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.134 0 N-CA-C 109.159 -0.682 . . . . 53.43 109.159 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -112.04 11.6 20.52 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 124.174 0.99 . . . . 64.13 111.506 -170.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -71.66 -37.45 70.8 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.37 0.668 . . . . 75.05 110.33 -174.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 57.1 m-80 -81.28 -31.5 33.63 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 115.791 -0.64 . . . . 73.11 110.988 175.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.453 HD13 ' HB3' ' A' ' 34' ' ' GLU . 63.8 mt -69.96 -36.54 69.38 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.794 0 C-N-CA 123.617 0.767 . . . . 75.44 110.824 -177.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.05 -25.56 67.88 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 114.968 -1.015 . . . . 23.1 112.334 -177.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt -63.85 -36.32 83.52 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.096 0.558 . . . . 54.21 111.102 178.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -66.16 -26.03 67.23 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.14 0.576 . . . . 74.04 111.571 -178.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -63.72 -25.23 68.11 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.784 0.834 . . . . 74.54 112.133 -179.069 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -65.48 -34.12 77.54 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.353 0.661 . . . . 72.24 111.168 176.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.19 -20.45 64.17 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.194 0.597 . . . . 64.44 111.752 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.496 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 9.4 t80 -83.29 115.65 22.08 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 109.058 -0.719 . . . . 74.33 109.058 175.149 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -95.27 168.37 10.77 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.871 0.868 . . . . 74.43 109.403 172.115 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -45.29 -40.7 7.9 Favored 'General case' 0 N--CA 1.497 1.925 0 C-N-CA 124.848 1.259 . . . . 74.32 113.703 -164.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 75.76 -58.31 0.55 Allowed 'General case' 0 N--CA 1.495 1.821 0 C-N-CA 125.388 1.475 . . . . 73.31 113.82 168.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -68.52 -31.31 70.46 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.823 0.849 . . . . 71.14 110.462 -178.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -152.67 92.58 1.68 Allowed 'General case' 0 CA--C 1.557 1.237 0 CA-C-O 121.626 0.727 . . . . 42.03 111.287 179.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -158.22 4.33 0.11 Allowed 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.646 0.778 . . . . 74.42 109.682 173.568 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 61.03 22.19 12.47 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 123.968 0.907 . . . . 73.42 109.987 -165.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -137.69 96.42 3.23 Favored 'General case' 0 C--N 1.349 0.583 0 C-N-CA 124.681 1.192 . . . . 62.22 108.286 -177.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -108.09 -151.65 16.21 Favored Glycine 0 N--CA 1.474 1.173 0 N-CA-C 109.425 -1.47 . . . . 61.33 109.425 165.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 65.52 -65.93 0.16 Allowed 'General case' 0 N--CA 1.498 1.947 0 C-N-CA 125.03 1.332 . . . . 75.03 113.836 173.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 60.3 mt -47.32 -53.0 14.72 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.743 1.617 . . . . 51.32 112.053 179.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -77.07 -176.74 4.14 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.556 0.742 . . . . 53.33 112.042 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.8 -56.45 2.6 Favored Glycine 0 C--N 1.348 1.195 0 N-CA-C 110.18 -1.168 . . . . 64.15 110.18 -171.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -57.69 -35.14 70.2 Favored 'General case' 0 C--N 1.35 0.615 0 C-N-CA 123.571 0.748 . . . . 51.23 111.051 178.062 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.496 ' HB3' ' HD2' ' A' ' 12' ' ' TYR . . . -61.44 -54.2 46.55 Favored 'General case' 0 C--N 1.354 0.782 0 O-C-N 123.809 0.693 . . . . 72.22 110.339 178.703 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.529 HD13 ' HB2' ' A' ' 50' ' ' ARG . 27.8 mt -58.07 -36.32 72.64 Favored 'General case' 0 C--N 1.359 0.998 0 O-C-N 123.315 0.384 . . . . 71.14 111.506 -178.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -61.04 -53.69 54.07 Favored 'General case' 0 CA--C 1.559 1.301 0 C-N-CA 123.295 0.638 . . . . 73.04 110.685 176.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -65.58 -43.61 89.22 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.337 0.655 . . . . 74.53 111.959 -174.048 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.515 HG22 ' HE2' ' A' ' 35' ' ' LYS . 20.2 mt -69.95 -35.75 65.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 123.8 0.84 . . . . 64.5 109.45 179.341 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -60.91 -38.29 95.16 Favored Glycine 0 C--N 1.351 1.388 0 CA-C-N 115.445 -0.798 . . . . 64.31 112.73 179.137 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.6 mt -59.14 -39.14 81.47 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.333 0.653 . . . . 72.31 110.722 174.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.453 ' HB3' HD13 ' A' ' 5' ' ' ILE . 30.3 mm-40 -66.67 -39.08 88.0 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.675 0.79 . . . . 61.14 111.864 -179.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.515 ' HE2' HG22 ' A' ' 31' ' ' ILE . 4.8 mptp? -62.06 -49.94 73.97 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.194 0.598 . . . . 70.41 109.89 173.052 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -58.21 -39.71 79.7 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 124.479 1.112 . . . . 74.52 110.851 -176.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.1 ttpp -58.56 -37.3 75.45 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.722 1.209 . . . . 64.4 112.463 179.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 54.1 mtm -84.18 -17.06 41.2 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 122.607 0.363 . . . . 64.45 111.871 -179.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 105.86 10.4 30.56 Favored Glycine 0 C--N 1.341 0.858 0 O-C-N 123.537 0.523 . . . . 34.22 112.88 -176.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.402 ' HB2' ' HB3' ' A' ' 35' ' ' LYS . 70.6 mmtt -83.66 57.03 3.87 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 108.165 -1.05 . . . . 60.21 108.165 171.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.477 ' HB1' ' O ' ' A' ' 74' ' ' ALA . . . -74.0 -27.92 61.2 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.635 0.774 . . . . 74.13 111.789 -169.348 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.473 HH11 ' HB2' ' A' ' 87' ' ' ALA . 27.4 tpt180 -64.83 -52.47 56.55 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.678 0.791 . . . . 75.43 109.907 172.025 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -66.15 -32.26 73.6 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.058 -0.974 . . . . 74.44 110.855 -178.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.7 -44.86 76.71 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 123.585 0.754 . . . . 43.55 110.594 178.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.23 -36.58 78.04 Favored 'General case' 0 C--N 1.349 0.576 0 O-C-N 124.28 0.988 . . . . 73.11 111.092 -179.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -57.55 -49.34 76.69 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.681 0.793 . . . . 61.01 110.516 173.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.476 ' HB3' ' O ' ' A' ' 28' ' ' LEU . 3.5 m-85 -61.46 -45.87 92.43 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 115.093 -0.958 . . . . 74.23 111.519 -178.487 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.528 ' HB2' ' HG ' ' A' ' 71' ' ' LEU . 27.3 m-85 -66.04 -31.53 72.47 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 122.955 0.502 . . . . 73.14 111.653 -179.167 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -71.67 -52.15 19.36 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.486 0.714 . . . . 74.31 111.109 -179.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.529 ' HB2' HD13 ' A' ' 28' ' ' LEU . 44.9 mtt180 -67.34 -30.83 70.75 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 115.335 -0.848 . . . . 72.12 110.155 -178.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.48 -48.3 80.22 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 115.266 -0.879 . . . . 72.4 109.667 171.281 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.57 -30.93 71.97 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 124.432 1.083 . . . . 65.13 111.832 -178.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 80.2 mt -60.91 -44.42 97.86 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 C-N-CA 123.535 0.734 . . . . 73.53 110.53 173.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 47.5 t -70.03 -43.44 79.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 123.062 0.545 . . . . 74.02 110.074 178.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -64.1 -28.54 69.85 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.098 0.559 . . . . 75.03 111.632 179.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -72.45 -53.99 10.58 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.272 0.629 . . . . 62.14 111.0 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -66.25 -32.0 73.16 Favored 'General case' 0 N--CA 1.484 1.263 0 CA-C-N 116.308 -0.406 . . . . 71.14 111.509 179.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -86.36 -2.12 58.14 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 122.883 0.473 . . . . 74.41 111.099 175.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 57.68 27.07 13.76 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 124.735 1.214 . . . . 74.24 112.298 173.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -81.98 83.43 7.26 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.91 1.284 . . . . 65.13 108.488 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.685 HG22 ' HB3' ' A' ' 101' ' ' GLU . 25.7 p -55.64 -35.74 66.25 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.794 1.238 . . . . 71.41 112.414 -179.119 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -56.47 -54.39 46.25 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.753 1.221 . . . . 72.14 111.251 179.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -76.03 -39.09 33.57 Favored Glycine 0 C--N 1.344 1.004 0 CA-C-N 115.234 -0.894 . . . . 70.32 112.708 -177.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 44.2 tp -61.93 -41.86 98.43 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.478 0.711 . . . . 74.12 110.982 -178.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -65.94 -45.73 80.79 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.892 0.877 . . . . 73.3 110.531 -178.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -74.58 -30.09 61.58 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 114.93 -1.032 . . . . 73.34 110.866 -176.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.425 ' O ' ' HB2' ' A' ' 71' ' ' LEU . . . -75.23 -32.17 61.05 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.378 0.671 . . . . 55.52 110.467 176.006 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.65 -40.79 84.52 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.709 0.804 . . . . 72.5 110.324 175.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 23.4 mmmt -58.36 -53.22 60.8 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 114.599 -1.182 . . . . 63.23 110.904 172.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 62.4 m -68.09 -29.51 68.47 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.124 0.569 . . . . 73.41 112.142 -177.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.528 ' HG ' ' HB2' ' A' ' 48' ' ' PHE . 0.6 OUTLIER -63.68 -54.97 27.26 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.652 0.781 . . . . 55.15 109.555 -178.379 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -68.66 -35.21 76.94 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 115.87 -0.605 . . . . 74.42 112.149 -175.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -75.49 -23.74 56.81 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.274 0.63 . . . . 73.43 111.259 -178.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.477 ' O ' ' HB1' ' A' ' 41' ' ' ALA . . . -75.06 -35.91 61.82 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 122.69 0.396 . . . . 61.42 110.499 170.391 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.724 HD13 ' HA ' ' A' ' 88' ' ' LYS . 81.7 mt -71.47 -38.0 66.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 123.33 0.652 . . . . 62.25 112.076 -178.646 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 41.2 p -69.39 -16.81 63.59 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 116.533 -0.303 . . . . 72.32 110.843 174.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -85.68 -20.43 29.41 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.291 0.636 . . . . 64.41 111.435 173.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 28.2 mt -73.42 126.28 90.1 Favored Pre-proline 0 N--CA 1.482 1.171 0 N-CA-C 107.767 -1.197 . . . . 73.14 107.767 170.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_endo -61.26 -73.56 0.02 OUTLIER 'Trans proline' 0 C--N 1.375 1.941 0 C-N-CA 122.149 1.899 . . . . 64.21 112.786 176.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -139.69 -48.51 0.47 Allowed 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.341 0.656 . . . . 75.05 110.305 -176.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -64.4 113.91 3.96 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.573 0.749 . . . . 71.41 112.193 -170.221 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 57.96 25.37 12.12 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.885 1.274 . . . . 75.23 112.309 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -142.23 -169.93 12.38 Favored Glycine 0 C--O 1.244 0.724 0 N-CA-C 109.707 -1.357 . . . . 53.33 109.707 172.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 66.47 -4.89 0.66 Allowed 'General case' 0 CA--C 1.572 1.824 0 C-N-CA 123.719 0.808 . . . . 71.21 112.325 176.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -170.36 -59.43 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.423 1.489 . . . . 71.55 108.18 -172.015 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -63.45 -71.54 0.17 Allowed 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.947 0.899 . . . . 64.22 111.774 -174.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.473 ' HB2' HH11 ' A' ' 42' ' ' ARG . . . -66.33 -24.34 66.51 Favored 'General case' 0 C--N 1.353 0.748 0 C-N-CA 122.816 0.447 . . . . 64.41 111.341 175.185 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.724 ' HA ' HD13 ' A' ' 75' ' ' ILE . 14.1 tmtt? -59.27 -33.61 71.26 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.42 1.088 . . . . 62.43 112.314 -172.226 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -61.21 -31.7 71.47 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.914 0.885 . . . . 73.44 111.74 178.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 50.0 mtm -65.07 -33.53 76.27 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.347 0.659 . . . . 70.02 111.931 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.559 ' HB2' HD12 ' A' ' 75' ' ' ILE . . . -58.02 -48.05 81.21 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 123.52 0.512 . . . . 73.32 110.327 173.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.457 ' O ' ' HG2' ' A' ' 96' ' ' GLU . 86.9 tttt -58.59 -43.2 89.43 Favored 'General case' 0 C--N 1.355 0.84 0 O-C-N 124.221 0.95 . . . . 74.31 110.776 176.762 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt -56.08 -51.54 67.49 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 124.276 0.985 . . . . 74.22 111.504 -178.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.62 -31.93 72.87 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 123.882 0.739 . . . . 75.32 111.944 -178.069 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -75.92 -37.35 58.84 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.804 0.842 . . . . 73.34 111.287 178.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 52.6 mm-40 -63.18 -41.55 99.24 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-O 121.461 0.648 . . . . 73.5 109.662 177.263 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 50.4 m0 -64.78 -42.23 95.25 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 114.256 -1.338 . . . . 64.55 110.487 175.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 42.3 tp -63.05 -31.46 72.61 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 124.218 0.949 . . . . 64.13 111.498 -178.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -67.15 -49.06 66.12 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 122.906 0.482 . . . . 72.32 110.259 174.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.39 64.18 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.26 0.624 . . . . 51.31 111.868 179.095 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.685 ' HB3' HG22 ' A' ' 61' ' ' THR . 76.2 mm-40 -84.22 -39.18 19.63 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 115.349 -0.841 . . . . 62.0 112.068 177.573 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -149.5 113.25 5.07 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 122.929 0.492 . . . . 52.45 110.089 -178.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 62.42 79.0 0.27 Allowed 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 124.779 1.232 . . . . 75.14 111.978 178.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.49 1.542 0 C-N-CA 124.085 0.954 . . . . 62.33 110.792 178.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.338 0 N-CA-C 112.482 0.549 . . . . 52.22 112.482 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -82.48 5.38 20.82 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 112.257 0.466 . . . . 71.23 112.257 -174.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -55.58 -35.42 65.76 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 124.252 1.021 . . . . 73.21 110.17 173.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -64.18 -41.68 97.01 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.844 0.858 . . . . 73.44 111.641 177.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 63.4 mt -65.98 -47.42 85.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 124.065 0.946 . . . . 74.52 109.867 177.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.07 -28.45 69.47 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 114.555 -1.202 . . . . 71.12 111.672 -179.254 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.21 -48.3 82.15 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.952 0.901 . . . . 73.24 109.928 173.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -62.54 -47.4 84.06 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 114.921 -1.036 . . . . 73.25 110.495 -178.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -62.32 -32.93 73.76 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 124.086 0.955 . . . . 72.32 111.888 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.0 tptp -77.0 -30.53 55.93 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.646 0.778 . . . . 61.01 110.722 179.248 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.58 -6.5 40.16 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.66 0.784 . . . . 72.13 111.821 -179.248 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.673 ' HE1' ' HB3' ' A' ' 24' ' ' MET . 71.1 t80 -119.66 123.27 43.43 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.689 0.796 . . . . 75.31 110.795 -179.358 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -144.88 -167.65 2.72 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 124.717 1.207 . . . . 75.54 109.635 172.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp 75.88 -66.0 0.29 Allowed 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 126.06 1.744 . . . . 73.25 113.409 168.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.41 121.25 13.9 Favored 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 123.306 0.642 . . . . 73.2 111.804 -176.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.9 tt0 -170.89 -60.86 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 106.875 -1.528 . . . . 73.44 106.875 176.178 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -131.67 -24.78 2.18 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 114.39 -1.277 . . . . 75.53 109.875 176.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.417 HD22 ' HG2' ' A' ' 20' ' ' GLN . 2.4 tt -59.96 133.02 55.7 Favored 'General case' 0 N--CA 1.482 1.147 0 N-CA-C 108.453 -0.943 . . . . 72.22 108.453 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 63.0 m-20 -72.68 77.61 1.1 Allowed 'General case' 0 CA--C 1.548 0.871 0 O-C-N 124.147 0.904 . . . . 74.32 111.159 -174.053 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.417 ' HG2' HD22 ' A' ' 18' ' ' LEU . 4.1 pt20 -167.59 96.46 0.46 Allowed 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.128 1.371 . . . . 74.15 109.286 176.157 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -127.17 -164.19 11.62 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.864 -0.894 . . . . 73.31 110.864 172.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 56.65 29.34 15.55 Favored 'General case' 0 N--CA 1.499 1.989 0 CA-C-O 122.854 1.311 . . . . 54.54 109.453 -173.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.9 mt -145.71 -48.17 0.22 Allowed 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 105.65 -1.982 . . . . 64.11 105.65 -178.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.673 ' HB3' ' HE1' ' A' ' 12' ' ' TYR . 28.4 mtm -128.97 173.88 10.02 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 112.71 -2.041 . . . . 72.31 109.09 -176.034 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.17 -37.09 3.66 Favored Glycine 0 N--CA 1.473 1.101 0 N-CA-C 111.796 -0.522 . . . . 31.24 111.796 178.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.437 ' HA ' ' HZ ' ' A' ' 55' ' ' PHE . 73.8 ttt180 -68.13 -38.0 81.73 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.552 0.741 . . . . 63.12 109.496 174.103 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.406 ' O ' HG13 ' A' ' 31' ' ' ILE . . . -59.64 -43.19 93.95 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-N 115.369 -0.832 . . . . 63.31 111.101 173.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.403 ' HG ' ' CE2' ' A' ' 12' ' ' TYR . 0.8 OUTLIER -58.28 -41.8 85.16 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 124.487 1.115 . . . . 74.54 110.462 -178.654 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -57.83 -41.62 82.66 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 114.999 -1.0 . . . . 74.13 111.401 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.41 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 40.5 m-80 -67.03 -40.07 87.15 Favored 'General case' 0 N--CA 1.484 1.267 0 O-C-N 123.171 0.295 . . . . 72.21 111.208 177.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.406 HG13 ' O ' ' A' ' 27' ' ' ALA . 51.2 mt -57.21 -45.98 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 C-N-CA 123.474 0.71 . . . . 73.11 110.301 179.421 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.63 -40.71 98.91 Favored Glycine 0 C--N 1.345 1.046 0 CA-C-N 114.292 -1.322 . . . . 55.22 112.811 179.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.2 mt -57.45 -51.29 70.04 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.233 0.613 . . . . 64.04 110.184 178.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' A' ' 30' ' ' ASN . 23.0 mm-40 -64.2 -36.54 84.4 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 124.069 0.855 . . . . 75.34 111.65 -176.314 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -64.87 -48.04 75.71 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.07 0.548 . . . . 74.41 111.421 175.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -60.48 -32.96 71.92 Favored 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 123.413 0.685 . . . . 75.45 111.092 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -69.34 -26.07 64.51 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.125 0.97 . . . . 65.5 112.187 178.298 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 27.7 mtm -90.68 -14.9 31.33 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 122.678 0.391 . . . . 71.32 111.446 176.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 105.01 7.81 37.61 Favored Glycine 0 C--N 1.345 1.053 0 CA-C-N 116.614 -0.266 . . . . 50.0 113.165 -176.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.9 mmpt? -90.59 45.88 1.29 Allowed 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.95 0.9 . . . . 62.51 109.588 176.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.435 ' HA ' ' HB3' ' A' ' 44' ' ' ALA . . . -67.43 -23.66 65.56 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.354 1.061 . . . . 74.15 111.93 -176.335 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.5 tpt85 -62.06 -50.42 72.05 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.796 0.838 . . . . 51.12 110.36 174.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -62.83 -47.27 84.14 Favored 'General case' 0 C--N 1.35 0.623 0 O-C-N 123.776 0.672 . . . . 71.01 109.362 174.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.435 ' HB3' ' HA ' ' A' ' 41' ' ' ALA . . . -55.64 -37.43 68.2 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.012 -0.995 . . . . 63.54 112.148 -176.342 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.17 -48.39 80.27 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 123.441 0.463 . . . . 75.45 111.012 178.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -58.47 -34.24 70.67 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.851 0.86 . . . . 72.15 110.964 175.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 3.1 m-30 -76.6 -37.95 55.59 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.504 1.122 . . . . 61.33 112.24 -174.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -76.26 -25.19 54.7 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 122.26 0.224 . . . . 74.22 110.623 176.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.443 ' CD1' ' HB3' ' A' ' 90' ' ' MET . 65.4 t80 -68.29 -51.36 45.8 Favored 'General case' 0 CA--C 1.537 0.466 0 O-C-N 123.699 0.625 . . . . 62.33 110.087 174.04 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.412 ' O ' HG23 ' A' ' 54' ' ' VAL . 57.3 mtt180 -59.6 -45.43 91.94 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 115.379 -0.828 . . . . 73.04 110.966 176.74 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.08 -44.88 91.94 Favored 'General case' 0 C--N 1.356 0.858 0 O-C-N 123.518 0.511 . . . . 72.34 110.026 177.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.51 -38.66 78.16 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 123.993 0.808 . . . . 63.41 111.679 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 49' ' ' PHE . 74.2 mt -64.54 -44.73 96.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 O-C-N 123.439 0.462 . . . . 72.13 110.9 176.693 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 50' ' ' ARG . 61.4 t -63.05 -45.9 97.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 C-N-CA 122.991 0.516 . . . . 53.24 111.012 -177.391 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.437 ' HZ ' ' HA ' ' A' ' 26' ' ' ARG . 46.7 m-85 -65.71 -46.3 79.46 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.074 0.549 . . . . 74.42 110.863 178.466 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -58.92 -37.7 77.27 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.815 0.846 . . . . 75.13 112.005 176.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 46.0 tptt -67.35 -31.96 72.58 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 124.18 0.992 . . . . 72.42 110.903 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -88.07 -9.15 54.24 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.517 0.727 . . . . 61.32 111.446 172.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 68.13 22.91 8.15 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.886 1.274 . . . . 75.11 111.753 -178.135 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -79.27 95.95 5.81 Favored 'General case' 0 C--O 1.241 0.609 0 N-CA-C 108.453 -0.943 . . . . 61.44 108.453 177.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.622 HG22 ' HB3' ' A' ' 101' ' ' GLU . 28.7 p -61.38 -38.27 86.42 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 114.526 -1.215 . . . . 72.5 112.672 -172.408 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -71.72 -38.34 70.51 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 123.488 0.492 . . . . 75.24 111.337 -173.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -69.38 -44.21 66.17 Favored Glycine 0 C--N 1.339 0.7 0 N-CA-C 111.668 -0.573 . . . . 53.0 111.668 177.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 55.7 tp -59.39 -37.8 78.89 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.135 0.974 . . . . 62.2 110.604 175.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -65.81 -43.72 87.78 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.084 1.354 . . . . 75.33 110.782 178.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -66.87 -42.38 85.74 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.237 -0.892 . . . . 73.13 110.659 178.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -72.26 -30.58 64.99 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.02 0.928 . . . . 64.25 111.273 -177.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.04 -49.11 48.38 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.813 0.845 . . . . 64.34 111.826 -178.345 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -67.0 -42.45 84.98 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 115.482 -0.781 . . . . 72.24 110.829 174.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.3 t -65.79 -28.77 69.26 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 122.625 0.37 . . . . 73.04 111.175 -178.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.402 HD22 HD11 ' A' ' 75' ' ' ILE . 0.9 OUTLIER -59.16 -53.81 54.06 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.642 0.777 . . . . 73.44 109.315 177.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.491 ' HA ' HD12 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -70.59 -27.07 63.83 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 116.247 -0.433 . . . . 62.13 111.994 -179.645 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -65.06 -33.85 77.02 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.467 0.707 . . . . 74.34 111.285 173.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.406 ' O ' ' HB1' ' A' ' 41' ' ' ALA . . . -70.11 -47.16 62.97 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 109.732 -0.47 . . . . 73.32 109.732 171.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.716 HD13 ' HA ' ' A' ' 88' ' ' LYS . 78.3 mt -60.57 -44.56 96.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 124.191 0.996 . . . . 72.24 113.58 -174.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 14.6 t -69.75 -19.33 63.53 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 116.325 -0.398 . . . . 74.43 110.371 179.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -96.17 -11.37 26.27 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 123.99 0.916 . . . . 71.4 112.234 177.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 69.4 mt -64.55 133.06 95.57 Favored Pre-proline 0 N--CA 1.488 1.436 0 N-CA-C 108.786 -0.82 . . . . 70.52 108.786 174.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -66.25 -162.43 0.06 OUTLIER 'Trans proline' 0 C--N 1.379 2.15 0 C-N-CA 122.454 2.103 . . . . 65.11 111.873 172.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -58.97 -47.44 85.13 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.378 0.671 . . . . 71.31 110.866 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 59.74 -170.28 0.14 Allowed 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.297 1.039 . . . . 53.13 113.299 167.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -109.88 -39.04 5.19 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.526 1.13 . . . . 64.41 109.109 169.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -110.84 45.78 1.27 Allowed Glycine 0 C--N 1.351 1.415 0 CA-C-N 116.05 -0.523 . . . . 74.11 113.413 -175.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.06 -47.55 28.29 Favored 'General case' 0 CA--C 1.553 1.073 0 CA-C-O 121.191 0.519 . . . . 65.52 109.917 -179.174 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -69.6 -42.26 74.64 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.704 1.202 . . . . 72.22 112.269 -173.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -66.72 -36.94 83.67 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 122.906 0.482 . . . . 72.22 110.653 179.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.13 -39.58 86.62 Favored 'General case' 0 C--N 1.348 0.503 0 CA-C-N 115.698 -0.683 . . . . 43.52 110.623 175.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.716 ' HA ' HD13 ' A' ' 75' ' ' ILE . 11.1 tmtt? -61.84 -37.16 83.44 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 123.968 0.907 . . . . 61.24 110.131 178.672 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -67.12 -29.97 69.85 Favored 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 124.485 1.114 . . . . 63.33 111.018 -178.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.443 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 41.6 mtm -67.73 -32.72 73.54 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.722 0.809 . . . . 62.24 112.926 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -53.7 -33.37 55.28 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.049 0.54 . . . . 75.43 111.709 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.44 -39.55 92.19 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.357 0.663 . . . . 72.01 110.907 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.419 ' HB2' ' HE1' ' A' ' 49' ' ' PHE . 28.5 mmtp -59.7 -52.29 66.13 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 123.651 0.595 . . . . 74.11 111.381 -178.525 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.406 ' HA ' ' CE3' ' A' ' 97' ' ' TRP . . . -60.68 -32.24 71.46 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 124.155 0.909 . . . . 74.34 111.837 -177.581 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.464 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 8.1 mm-40 -75.96 -39.89 55.08 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.808 0.843 . . . . 74.22 111.927 176.508 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -68.83 -35.17 76.64 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 122.849 0.459 . . . . 73.53 110.84 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . 0.406 ' CE3' ' HA ' ' A' ' 94' ' ' ALA . 41.4 m0 -61.9 -46.56 88.86 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.148 -0.933 . . . . 54.32 109.2 172.19 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 32.5 tp -63.24 -37.85 88.86 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 123.723 0.809 . . . . 65.34 111.82 -178.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.464 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 12.0 mm100 -68.95 -39.82 79.28 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 122.998 0.519 . . . . 74.05 110.849 179.064 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.92 -28.2 61.41 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 115.875 -0.602 . . . . 53.01 111.147 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.622 ' HB3' HG22 ' A' ' 61' ' ' THR . 71.5 mm-40 -71.92 -43.58 65.05 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.466 0.706 . . . . 62.33 110.974 175.319 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -89.54 87.76 7.17 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.145 0.578 . . . . 55.31 110.167 -175.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 16.9 m-80 -94.26 169.61 10.11 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 124.806 1.243 . . . . 74.51 111.406 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.554 1.128 0 N-CA-C 108.069 -1.086 . . . . 74.32 108.069 177.356 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.143 0 N-CA-C 109.188 -0.671 . . . . 72.24 109.188 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.652 ' HB2' HD12 ' A' ' 5' ' ' ILE . 4.4 p-10 -161.75 39.75 0.13 Allowed 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.793 0.837 . . . . 73.43 110.753 -175.502 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -67.2 -29.65 69.37 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.543 0.737 . . . . 74.34 110.817 178.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -63.47 -31.43 72.59 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.955 0.902 . . . . 70.42 110.881 178.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.7 HG23 HG23 ' A' ' 31' ' ' ILE . 73.3 mt -69.99 -51.31 40.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 CA-C-N 114.938 -1.028 . . . . 63.24 109.919 174.775 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.85 -25.96 61.42 Favored 'General case' 0 N--CA 1.484 1.258 0 O-C-N 124.178 0.924 . . . . 63.24 111.675 176.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -70.97 -45.71 63.62 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 125.084 1.354 . . . . 63.13 110.265 176.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.4 ' HB2' HG12 ' A' ' 31' ' ' ILE . 23.4 m-85 -72.97 -24.64 60.81 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.21 0.604 . . . . 74.31 111.342 178.54 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -61.09 -37.48 82.88 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.762 0.825 . . . . 63.14 110.401 174.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -65.38 -26.08 67.85 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.664 0.786 . . . . 72.4 111.129 177.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.8 -10.97 59.18 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.641 0.776 . . . . 55.32 111.695 -179.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.624 ' CE2' ' HG ' ' A' ' 28' ' ' LEU . 2.6 t80 -113.99 137.95 51.02 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.043 0.537 . . . . 74.34 109.603 -178.257 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -140.72 55.9 1.58 Allowed 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.55 0.74 . . . . 72.44 111.057 -177.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.8 mtmm 47.49 99.44 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.009 0 C-N-CA 125.384 1.473 . . . . 71.55 113.704 176.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.713 ' HB1' ' HA2' ' A' ' 21' ' ' GLY . . . -80.59 75.21 7.48 Favored 'General case' 0 C--O 1.248 0.996 0 C-N-CA 123.985 0.914 . . . . 72.42 113.406 -166.142 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -176.82 -20.35 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.263 1.025 . . . . 75.24 110.828 176.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -62.21 -51.59 67.16 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.662 0.785 . . . . 73.05 111.009 -179.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 82.6 mt -88.09 9.0 24.1 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 115.207 -0.906 . . . . 41.54 111.343 179.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 58.44 29.52 18.39 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 125.062 1.345 . . . . 63.43 111.178 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -135.01 87.74 2.36 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.754 1.222 . . . . 71.32 109.528 -176.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.713 ' HA2' ' HB1' ' A' ' 15' ' ' ALA . . . -85.1 -17.38 63.02 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 112.142 -0.383 . . . . 51.44 112.142 174.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -54.57 -37.28 65.31 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 124.44 1.096 . . . . 72.41 111.41 176.281 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 77.1 mt -74.62 -18.39 60.56 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.622 0.769 . . . . 72.14 111.991 -177.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.452 ' HB2' ' HB2' ' A' ' 15' ' ' ALA . 26.7 mtm -131.01 -154.44 0.63 Allowed 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.157 0.983 . . . . 52.34 109.838 -174.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.76 -60.02 4.8 Favored Glycine 0 C--N 1.347 1.153 0 C-N-CA 123.498 0.57 . . . . 51.22 111.897 -170.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.417 ' O ' ' HB3' ' A' ' 29' ' ' TYR . 29.9 ttt85 -61.21 -31.45 71.22 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.033 1.333 . . . . 73.03 111.537 -177.203 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.62 ' HB3' ' HD2' ' A' ' 12' ' ' TYR . . . -66.34 -46.57 76.37 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 118.42 -0.8 . . . . 73.11 110.67 179.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.624 ' HG ' ' CE2' ' A' ' 12' ' ' TYR . 20.5 mt -59.73 -32.09 70.22 Favored 'General case' 0 N--CA 1.499 1.975 0 CA-C-N 118.416 0.553 . . . . 62.12 110.997 173.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.417 ' HB3' ' O ' ' A' ' 26' ' ' ARG . 74.0 t80 -62.54 -48.28 80.21 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 123.346 0.658 . . . . 72.14 110.273 176.651 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 -64.96 -37.37 87.41 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 123.216 0.606 . . . . 63.24 111.349 179.082 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.7 HG23 HG23 ' A' ' 5' ' ' ILE . 90.1 mt -64.72 -43.37 96.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 123.704 0.802 . . . . 72.31 109.664 177.024 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.36 -38.53 96.43 Favored Glycine 0 C--N 1.345 1.049 0 O-C-N 123.907 0.754 . . . . 64.44 112.07 178.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 89.6 mt -57.57 -42.23 82.68 Favored 'General case' 0 C--N 1.357 0.893 0 C-N-CA 123.361 0.664 . . . . 53.52 110.34 177.08 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -57.86 -48.36 80.02 Favored 'General case' 0 N--CA 1.478 0.972 0 O-C-N 123.931 0.769 . . . . 74.25 111.054 177.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.536 ' HE3' ' CE2' ' A' ' 47' ' ' TYR . 5.0 mptp? -59.68 -49.78 76.42 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.226 0.61 . . . . 72.34 110.489 178.557 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -59.47 -43.34 93.25 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.228 1.011 . . . . 52.04 110.973 -173.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -69.51 -27.38 65.13 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.922 0.889 . . . . 74.42 111.908 -178.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 76.5 mtm -89.98 -11.13 42.55 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.08 0.552 . . . . 64.41 111.849 178.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 95.58 4.23 60.77 Favored Glycine 0 N--CA 1.471 1.023 0 O-C-N 122.881 0.113 . . . . 64.32 113.067 -179.182 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -85.57 38.94 0.76 Allowed 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 124.247 1.019 . . . . 65.51 109.852 175.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.97 -15.77 63.09 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.212 1.005 . . . . 43.24 113.187 -164.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.418 ' HB2' HG23 ' A' ' 78' ' ' ILE . 8.6 tpt180 -64.58 -46.28 83.41 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 122.848 0.459 . . . . 65.54 109.94 173.566 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -69.43 -39.55 77.77 Favored 'General case' 0 C--N 1.345 0.404 0 CA-C-N 115.97 -0.559 . . . . 74.14 109.694 176.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.34 -44.17 68.26 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.955 0.902 . . . . 72.42 111.15 178.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.3 -39.52 79.57 Favored 'General case' 0 C--N 1.349 0.579 0 O-C-N 124.557 1.16 . . . . 74.45 110.953 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -63.31 -44.53 94.7 Favored 'General case' 0 C--N 1.362 1.135 0 C-N-CA 123.783 0.833 . . . . 60.34 110.728 176.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.536 ' CE2' ' HE3' ' A' ' 35' ' ' LYS . 65.9 m-85 -66.2 -43.12 87.7 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.588 0.755 . . . . 71.23 111.774 -178.045 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.444 ' HB2' ' HG ' ' A' ' 71' ' ' LEU . 25.9 m-85 -67.83 -31.56 71.5 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 123.877 0.736 . . . . 74.02 110.704 177.723 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.439 ' O ' HG13 ' A' ' 53' ' ' ILE . 36.5 t80 -68.18 -52.7 31.52 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.034 0.934 . . . . 73.22 110.575 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.424 ' O ' HG23 ' A' ' 54' ' ' VAL . 68.7 mtt180 -67.49 -35.23 78.75 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.617 0.767 . . . . 74.34 110.335 -178.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.91 -45.22 93.25 Favored 'General case' 0 C--N 1.353 0.757 0 O-C-N 124.284 0.99 . . . . 51.25 109.727 172.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.43 -35.67 81.66 Favored 'General case' 0 C--N 1.355 0.82 0 O-C-N 124.151 0.907 . . . . 63.31 111.642 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 49' ' ' PHE . 83.0 mt -62.3 -42.13 94.23 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.278 0 C-N-CA 123.569 0.747 . . . . 74.51 110.167 176.093 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.446 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 79.9 t -67.84 -48.78 74.12 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.759 0 C-N-CA 123.35 0.66 . . . . 73.33 110.258 178.61 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -59.3 -32.63 70.22 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.262 0.625 . . . . 55.22 111.639 178.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -72.71 -52.65 14.32 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.365 0.666 . . . . 75.44 111.244 -178.092 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.439 ' HE3' HG22 ' A' ' 53' ' ' ILE . 19.2 ptpt -65.62 -29.21 69.77 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.181 0.592 . . . . 75.32 112.316 -179.531 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' A' ' 54' ' ' VAL . 10.5 mm-40 -85.15 -11.12 55.8 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 122.88 0.472 . . . . 72.24 110.87 174.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 65.78 29.94 10.37 Favored 'General case' 0 C--N 1.356 0.848 0 C-N-CA 125.004 1.321 . . . . 64.22 112.335 176.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -84.69 85.71 7.41 Favored 'General case' 0 C--O 1.244 0.774 0 N-CA-C 107.536 -1.283 . . . . 73.25 107.536 169.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.426 ' O ' ' HG3' ' A' ' 65' ' ' ARG . 35.7 m -61.53 -43.62 98.54 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.347 1.059 . . . . 75.11 112.033 -174.145 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -63.97 -39.49 94.24 Favored 'General case' 0 N--CA 1.484 1.258 0 O-C-N 123.702 0.626 . . . . 71.33 111.096 -175.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -68.11 -37.34 87.07 Favored Glycine 0 C--N 1.341 0.813 0 CA-C-N 116.033 -0.531 . . . . 51.32 112.035 175.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 44.3 tp -63.44 -35.22 79.7 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.808 0.843 . . . . 74.35 110.302 175.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.555 ' HG2' HD11 ' A' ' 98' ' ' LEU . 60.8 mtp180 -64.17 -46.84 82.21 Favored 'General case' 0 C--N 1.362 1.109 0 C-N-CA 123.477 0.711 . . . . 61.11 110.017 176.627 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 23.4 ttt-85 -70.44 -34.39 72.42 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 124.378 1.049 . . . . 73.23 110.257 -175.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.452 ' O ' ' HB2' ' A' ' 71' ' ' LEU . . . -74.73 -37.67 62.47 Favored 'General case' 0 C--N 1.351 0.659 0 C-N-CA 123.847 0.859 . . . . 54.22 110.639 179.348 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.85 -43.51 75.3 Favored 'General case' 0 C--N 1.356 0.855 0 O-C-N 123.948 0.78 . . . . 73.53 110.999 179.107 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -60.54 -52.54 64.73 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 124.096 0.872 . . . . 72.35 111.004 178.192 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.6 t -70.08 -27.5 64.67 Favored 'General case' 0 C--N 1.345 0.372 0 O-C-N 124.201 0.938 . . . . 74.42 111.039 -176.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.475 ' O ' HG12 ' A' ' 75' ' ' ILE . 1.2 tt -59.01 -51.55 69.6 Favored 'General case' 0 C--N 1.361 1.104 0 N-CA-C 108.758 -0.83 . . . . 71.51 108.758 172.725 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.534 ' HG2' ' HB1' ' A' ' 91' ' ' ALA . 54.7 mtpt -69.52 -32.46 71.31 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.754 0.821 . . . . 71.52 111.948 -177.533 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -68.3 -33.46 74.37 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.4 0.68 . . . . 71.34 109.718 174.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.517 ' O ' HG13 ' A' ' 78' ' ' ILE . . . -69.11 -39.54 78.88 Favored 'General case' 0 C--O 1.215 -0.755 0 CA-C-O 118.66 -0.686 . . . . 72.45 110.013 174.422 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.595 HG21 ' HG2' ' A' ' 88' ' ' LYS . 32.7 mm -60.8 -47.17 94.44 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 C-N-CA 123.405 0.682 . . . . 74.32 111.485 -177.323 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 34.8 p -67.63 -18.39 64.95 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-N 114.703 -1.135 . . . . 63.41 111.293 177.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -99.06 -10.01 23.14 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.02 0.928 . . . . 65.01 112.03 177.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.517 HG13 ' O ' ' A' ' 74' ' ' ALA . 63.8 mt -68.78 131.39 91.19 Favored Pre-proline 0 N--CA 1.485 1.291 0 CA-C-O 118.768 -0.634 . . . . 45.43 109.345 177.115 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -57.14 133.2 56.12 Favored 'Trans proline' 0 C--N 1.374 1.892 0 C-N-CA 122.527 2.151 . . . . 75.04 110.636 167.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -80.99 48.87 1.15 Allowed 'General case' 0 CA--C 1.559 1.293 0 CA-C-O 121.737 0.78 . . . . 71.4 111.265 -177.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -67.24 -62.37 1.46 Allowed 'General case' 0 C--N 1.353 0.751 0 CA-C-N 115.438 -0.801 . . . . 71.14 109.351 178.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -160.1 -60.37 0.06 Allowed 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 108.381 -0.97 . . . . 73.53 108.381 -176.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -76.01 4.76 44.87 Favored Glycine 0 C--N 1.351 1.379 0 N-CA-C 115.357 0.903 . . . . 40.02 115.357 -169.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.449 ' HG2' ' HB ' ' A' ' 78' ' ' ILE . 3.3 tmm_? -62.19 -28.8 69.93 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 108.842 -0.799 . . . . 55.34 108.842 172.181 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -63.37 -59.91 4.07 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.68 1.192 . . . . 64.43 111.58 177.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.37 -31.52 70.95 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 122.968 0.507 . . . . 72.52 111.45 -175.064 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.12 -34.17 74.63 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.548 -0.751 . . . . 71.34 111.035 178.167 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.595 ' HG2' HG21 ' A' ' 75' ' ' ILE . 8.3 tmtt? -63.22 -36.85 85.03 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 123.76 0.824 . . . . 72.15 108.924 176.532 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.464 ' HA ' ' HE3' ' A' ' 92' ' ' LYS . 43.7 mt-10 -68.52 -30.62 69.47 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 115.015 -0.993 . . . . 43.02 110.823 178.694 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 61.1 mtm -67.34 -39.5 85.78 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.957 0.503 . . . . 71.51 110.744 174.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.534 ' HB1' ' HG2' ' A' ' 72' ' ' LYS . . . -64.88 -31.65 72.99 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 115.639 -0.709 . . . . 64.51 110.739 176.249 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.479 ' O ' ' HG2' ' A' ' 96' ' ' GLU . 10.1 mtmp? -63.27 -42.59 99.13 Favored 'General case' 0 C--N 1.362 1.137 0 O-C-N 123.649 0.593 . . . . 73.34 110.438 174.584 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.428 ' HB2' ' HE1' ' A' ' 49' ' ' PHE . 69.1 mmtt -58.56 -42.38 87.82 Favored 'General case' 0 N--CA 1.482 1.142 0 O-C-N 123.884 0.74 . . . . 74.02 110.947 178.38 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.49 -37.65 88.11 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.722 0.809 . . . . 64.13 111.497 -179.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -66.87 -39.42 87.52 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.663 0.785 . . . . 74.21 110.853 175.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.479 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 17.4 mm-40 -63.2 -52.06 63.84 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.614 0.766 . . . . 61.44 110.418 179.684 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 28.0 m0 -59.94 -32.9 71.22 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 124.111 0.882 . . . . 74.31 111.106 179.458 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.555 HD11 ' HG2' ' A' ' 65' ' ' ARG . 25.8 tp -66.48 -38.62 87.69 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 123.787 0.68 . . . . 71.4 110.772 179.043 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 12.4 mm-40 -68.65 -29.74 68.29 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 122.318 0.247 . . . . 62.32 110.616 177.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.59 -46.58 68.98 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.523 0.729 . . . . 53.21 110.71 177.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -72.4 -40.36 67.26 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.707 0.803 . . . . 74.41 112.21 -179.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 77.5 mm-40 -76.74 103.44 6.71 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 109.309 -0.626 . . . . 71.23 109.309 177.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 42.6 t-20 -146.75 116.46 7.17 Favored 'General case' 0 C--O 1.242 0.7 0 N-CA-C 108.969 -0.752 . . . . 54.31 108.969 -176.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 7.8 t30 . . . . . 0 C--O 1.253 1.266 0 C-N-CA 124.32 1.048 . . . . 70.42 108.866 -179.535 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.047 0 N-CA-C 110.142 -0.318 . . . . 61.52 110.142 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -60.28 -24.26 64.81 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 123.697 0.799 . . . . 55.35 112.942 -171.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -58.54 -55.37 35.95 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 124.552 1.141 . . . . 73.41 110.498 173.08 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -63.81 -43.54 95.94 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.295 1.038 . . . . 63.13 110.93 -179.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 64.6 mt -57.36 -52.78 52.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 O-C-N 124.612 1.195 . . . . 74.5 110.146 -177.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.4 ' O ' ' HG3' ' A' ' 10' ' ' LYS . . . -59.74 -37.77 79.87 Favored 'General case' 0 C--N 1.357 0.912 0 O-C-N 124.315 1.009 . . . . 72.12 110.967 179.755 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -67.67 -39.35 84.49 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.869 0.867 . . . . 72.32 111.456 -178.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -75.19 -23.28 57.66 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 122.86 0.464 . . . . 74.43 110.652 177.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.447 ' HA ' ' HB3' ' A' ' 12' ' ' TYR . 44.4 mt-10 -79.28 -23.44 43.6 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.561 0.744 . . . . 62.43 110.78 172.079 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.4 ' HG3' ' O ' ' A' ' 6' ' ' ALA . 93.1 mttt -79.31 -12.32 59.93 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.146 0.578 . . . . 71.31 110.113 172.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -101.24 -14.57 17.62 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.983 0.913 . . . . 63.03 110.639 170.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.447 ' HB3' ' HA ' ' A' ' 9' ' ' GLU . 73.5 t80 -98.41 164.08 12.43 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 124.505 1.122 . . . . 73.51 108.849 173.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.402 ' HG3' ' CD2' ' A' ' 12' ' ' TYR . 98.9 mttt 61.79 -81.04 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 124.756 1.222 . . . . 61.54 109.867 -175.368 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -73.77 83.54 1.63 Allowed 'General case' 0 CA--C 1.552 1.019 0 N-CA-C 105.685 -1.969 . . . . 55.54 105.685 165.277 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -100.54 -56.95 2.22 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.572 -0.74 . . . . 41.44 110.292 -173.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -166.72 63.2 0.09 Allowed 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 108.492 -0.929 . . . . 74.24 108.492 173.212 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 59.3 -81.83 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 125.416 1.486 . . . . 75.0 113.156 175.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.6 tt -76.96 82.29 3.5 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.4 1.08 . . . . 72.0 108.998 -176.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.526 ' HA ' HD12 ' A' ' 23' ' ' LEU . 85.3 m-20 -74.43 86.84 2.04 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.869 0.868 . . . . 60.34 110.561 -174.648 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -66.48 -49.58 66.13 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 114.935 -1.03 . . . . 64.14 110.568 175.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 144.62 -49.63 0.68 Allowed Glycine 0 C--N 1.34 0.763 0 N-CA-C 108.819 -1.712 . . . . 64.33 108.819 -168.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -43.0 -38.94 2.44 Favored 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 126.484 1.914 . . . . 62.31 113.177 174.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.526 HD12 ' HA ' ' A' ' 19' ' ' ASN . 71.4 mt -70.09 -10.98 60.49 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.545 1.138 . . . . 73.14 113.072 -174.255 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 33.4 mtm -127.01 -167.55 1.75 Allowed 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.965 1.306 . . . . 73.14 108.779 -174.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.94 -60.72 4.42 Favored Glycine 0 C--N 1.346 1.138 0 N-CA-C 111.214 -0.754 . . . . 51.13 111.214 -177.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 42.3 ttp180 -64.57 -42.73 95.46 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.3 0.64 . . . . 73.45 109.632 170.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.429 ' O ' HG13 ' A' ' 31' ' ' ILE . . . -60.62 -43.26 97.71 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 123.945 0.778 . . . . 74.2 110.824 173.001 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.22 -35.49 81.23 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 124.375 1.07 . . . . 60.32 110.537 -179.686 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -65.01 -42.13 94.7 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 114.519 -1.218 . . . . 72.31 109.442 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -64.47 -36.72 85.11 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 124.009 0.818 . . . . 71.24 111.403 -178.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.43 ' O ' ' HD3' ' A' ' 35' ' ' LYS . 28.0 mt -65.16 -45.31 94.39 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.811 0 O-C-N 123.928 0.767 . . . . 73.54 109.499 175.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.55 -34.43 89.91 Favored Glycine 0 C--N 1.354 1.573 0 CA-C-N 115.423 -0.808 . . . . 55.43 113.366 -179.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 97.9 mt -57.78 -40.56 80.11 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.721 0.808 . . . . 65.23 110.246 174.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -74.79 -26.77 59.97 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.041 -0.981 . . . . 64.53 112.363 -178.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.43 ' HD3' ' O ' ' A' ' 31' ' ' ILE . 4.6 mptp? -64.46 -42.11 96.13 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 109.292 -0.633 . . . . 74.31 109.292 170.297 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -67.41 -30.75 70.58 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.709 0.803 . . . . 71.44 110.612 176.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -68.73 -25.79 64.92 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.869 0.868 . . . . 55.51 111.467 175.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 70.0 mtm -87.05 -4.68 59.18 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.036 0.534 . . . . 75.32 111.64 176.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.9 -1.8 87.78 Favored Glycine 0 C--N 1.341 0.821 0 N-CA-C 112.464 -0.254 . . . . 62.24 112.464 -173.509 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -84.36 67.73 9.96 Favored 'General case' 0 C--N 1.353 0.758 0 N-CA-C 108.374 -0.973 . . . . 60.11 108.374 175.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.66 -16.32 62.25 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 114.531 -1.213 . . . . 62.35 111.824 -176.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.493 ' HG2' HD13 ' A' ' 78' ' ' ILE . 2.1 tmm_? -72.61 -50.28 26.37 Favored 'General case' 0 C--N 1.355 0.839 0 N-CA-C 108.572 -0.899 . . . . 73.24 108.572 173.622 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -61.32 -34.57 75.47 Favored 'General case' 0 N--CA 1.479 1.001 0 O-C-N 124.115 0.885 . . . . 64.41 111.183 173.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.55 -51.75 68.5 Favored 'General case' 0 C--N 1.35 0.592 0 N-CA-C 109.381 -0.6 . . . . 72.31 109.381 175.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.63 -43.01 79.83 Favored 'General case' 0 C--N 1.351 0.647 0 O-C-N 124.726 1.266 . . . . 75.55 111.282 178.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.454 ' HG2' ' O ' ' A' ' 42' ' ' ARG . 72.3 mm-40 -53.35 -52.86 57.86 Favored 'General case' 0 C--N 1.355 0.835 0 C-N-CA 123.625 0.77 . . . . 71.34 110.576 178.255 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -72.46 -29.52 63.74 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.201 1.001 . . . . 73.42 111.752 -174.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -72.05 -32.88 67.51 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.087 0.555 . . . . 44.43 110.817 176.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -67.36 -50.63 59.02 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.597 -0.729 . . . . 72.33 110.129 175.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -65.1 -32.11 73.65 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 115.181 -0.918 . . . . 73.35 110.367 -178.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.95 -46.27 78.75 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 115.602 -0.726 . . . . 24.33 109.702 172.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.1 -32.63 72.31 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 124.191 0.932 . . . . 50.14 111.686 -179.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 72.2 mt -59.89 -49.92 82.09 Favored 'Isoleucine or valine' 0 C--N 1.359 0.997 0 C-N-CA 123.852 0.861 . . . . 75.1 110.089 173.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 76.1 t -59.45 -45.9 93.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 123.265 0.626 . . . . 70.35 110.964 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -63.67 -34.33 77.62 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 115.03 -0.986 . . . . 64.03 111.081 178.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -71.44 -40.12 70.56 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 123.023 0.529 . . . . 74.22 111.44 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.14 -44.91 71.79 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 123.17 0.588 . . . . 65.23 110.836 173.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -83.02 -9.0 59.49 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 115.202 -0.908 . . . . 71.41 111.819 178.255 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 59.61 29.19 18.74 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 124.831 1.252 . . . . 63.22 112.063 178.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -81.04 99.47 8.48 Favored 'General case' 0 C--O 1.241 0.606 0 C-N-CA 124.867 1.267 . . . . 64.15 108.084 178.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.448 HG22 ' HB3' ' A' ' 101' ' ' GLU . 35.4 p -62.04 -40.54 96.08 Favored 'General case' 0 C--O 1.214 -0.781 0 C-N-CA 123.83 0.852 . . . . 73.12 112.745 -174.527 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -64.78 -39.83 94.25 Favored 'General case' 0 N--CA 1.486 1.336 0 O-C-N 123.651 0.594 . . . . 70.12 111.5 -175.02 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -73.11 -45.06 33.23 Favored Glycine 0 C--N 1.344 1.021 0 O-C-N 123.551 0.532 . . . . 61.44 111.934 178.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 61.5 tp -59.46 -36.68 76.43 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 124.763 1.225 . . . . 73.35 110.764 176.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -65.98 -50.92 62.61 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.832 1.653 . . . . 72.22 110.264 177.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -64.35 -40.33 95.66 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.311 0.644 . . . . 61.15 110.836 -178.378 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.51 -32.87 73.14 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.29 0.636 . . . . 72.31 110.953 179.362 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.407 ' O ' ' HG2' ' A' ' 72' ' ' LYS . . . -71.14 -42.73 68.78 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.591 0.757 . . . . 64.22 111.469 177.623 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -66.57 -39.07 88.29 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.863 0.865 . . . . 72.41 110.237 177.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.0 t -70.05 -32.58 70.76 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 114.749 -1.114 . . . . 61.4 110.3 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.1 mt -61.47 -43.72 98.36 Favored 'General case' 0 C--N 1.361 1.073 0 C-N-CA 123.717 0.807 . . . . 74.54 110.413 172.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.407 ' HG2' ' O ' ' A' ' 68' ' ' ALA . 44.3 mmtm -59.35 -44.89 92.61 Favored 'General case' 0 N--CA 1.481 1.121 0 O-C-N 123.393 0.433 . . . . 65.34 110.559 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -67.35 -46.92 71.97 Favored 'General case' 0 N--CA 1.48 1.042 0 O-C-N 123.945 0.778 . . . . 75.41 110.808 -179.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.401 ' O ' HG13 ' A' ' 78' ' ' ILE . . . -60.11 -47.15 87.1 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.844 0.858 . . . . 73.43 111.177 -175.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.492 HD12 ' HB2' ' A' ' 91' ' ' ALA . 36.4 mt -74.44 -33.21 32.59 Favored 'Isoleucine or valine' 0 C--O 1.245 0.862 0 N-CA-C 112.203 0.446 . . . . 53.12 112.203 -173.554 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 68.2 p -76.81 -15.58 59.69 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 116.596 -0.275 . . . . 73.32 110.782 174.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -89.65 -18.3 26.74 Favored 'General case' 0 C--N 1.354 0.795 0 C-N-CA 123.435 0.694 . . . . 60.14 111.524 175.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.493 HD13 ' HG2' ' A' ' 42' ' ' ARG . 58.9 mt -62.24 114.36 11.49 Favored Pre-proline 0 N--CA 1.487 1.424 0 N-CA-C 108.283 -1.006 . . . . 62.53 108.283 174.629 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.42 -83.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.383 2.379 0 C-N-CA 123.132 2.554 . . . . 70.54 112.637 -177.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 176.41 87.01 0.01 OUTLIER 'General case' 0 C--N 1.361 1.08 0 C-N-CA 123.497 0.719 . . . . 64.14 109.563 -178.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 177.58 -52.63 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 123.443 0.697 . . . . 65.24 111.044 175.301 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -69.8 -28.93 66.14 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 115.38 -0.827 . . . . 73.41 111.733 -165.415 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 129.38 70.35 0.12 Allowed Glycine 0 C--N 1.342 0.893 0 N-CA-C 111.673 -0.571 . . . . 62.54 111.673 175.161 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 15.1 ptt180 -76.28 -22.76 54.67 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-O 119.272 -0.394 . . . . 63.42 111.354 176.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -74.43 -50.3 19.0 Favored 'General case' 0 C--N 1.353 0.735 0 N-CA-C 108.84 -0.8 . . . . 72.41 108.84 -178.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -63.71 -35.89 82.05 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 115.538 -0.755 . . . . 72.31 110.158 178.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.7 -33.16 64.28 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 115.902 -0.59 . . . . 65.43 110.88 178.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.455 ' HA ' HD13 ' A' ' 75' ' ' ILE . 4.5 tppp? -60.34 -37.88 82.01 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.749 0.82 . . . . 74.04 110.566 -179.122 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -55.12 -31.96 61.68 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 124.236 1.014 . . . . 74.43 111.977 178.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 45.0 mtm -73.92 -32.58 63.6 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.511 1.124 . . . . 73.44 111.511 -178.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.492 ' HB2' HD12 ' A' ' 75' ' ' ILE . . . -59.8 -40.4 88.2 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 122.929 0.492 . . . . 51.23 110.236 173.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.456 ' O ' ' HG2' ' A' ' 96' ' ' GLU . 0.8 OUTLIER -64.5 -41.94 96.14 Favored 'General case' 0 C--N 1.364 1.202 0 O-C-N 124.101 0.875 . . . . 51.42 110.16 177.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 26.3 mmtp -59.51 -44.3 93.16 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 124.053 0.941 . . . . 71.43 111.937 178.192 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.45 -35.75 76.58 Favored 'General case' 0 N--CA 1.468 0.429 0 O-C-N 124.442 1.089 . . . . 70.55 111.103 177.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' A' ' 91' ' ' ALA . 19.7 mm-40 -75.54 -32.61 60.52 Favored 'General case' 0 C--O 1.219 -0.545 0 O-C-N 124.145 0.903 . . . . 73.13 111.154 176.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.456 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 58.4 mm-40 -63.04 -49.84 72.99 Favored 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 109.472 -0.566 . . . . 72.42 109.472 178.072 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . 0.452 ' O ' ' HG2' ' A' ' 101' ' ' GLU . 24.0 m0 -64.6 -45.65 86.04 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.202 -0.908 . . . . 74.25 110.53 -179.587 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 49.9 tp -62.42 -48.4 79.87 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 123.967 0.792 . . . . 71.42 111.826 -177.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -66.63 -27.23 67.52 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.399 0.679 . . . . 74.5 111.2 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.43 -36.83 65.99 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.236 0.614 . . . . 71.12 110.739 175.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' A' ' 97' ' ' TRP . 49.4 mm-40 -71.77 -37.16 70.52 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.147 0.579 . . . . 44.42 111.164 177.217 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -79.71 129.04 34.14 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.535 0.734 . . . . 75.41 110.286 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 49.0 m-80 -77.86 -24.04 48.66 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.769 0.828 . . . . 74.52 110.797 178.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 . . . . . 0 C--O 1.25 1.117 0 N-CA-C 107.811 -1.181 . . . . 63.43 107.811 177.472 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.142 0 N-CA-C 109.835 -0.432 . . . . 75.01 109.835 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 58.33 24.75 11.96 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 124.383 1.073 . . . . 64.4 113.843 171.223 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -67.97 -37.99 82.2 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.455 0.702 . . . . 70.53 110.379 178.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -58.01 -45.22 87.24 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.485 1.114 . . . . 72.21 110.902 175.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.511 HG23 HG23 ' A' ' 31' ' ' ILE . 77.7 mt -70.46 -41.17 78.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 123.513 0.725 . . . . 63.32 110.779 177.502 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.58 -27.28 68.84 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.568 0.747 . . . . 64.41 111.545 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -70.52 -40.48 73.48 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 115.529 -0.759 . . . . 62.24 110.145 172.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 20.9 m-30 -69.89 -29.97 67.29 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.511 0.724 . . . . 73.12 111.505 177.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -59.81 -46.58 88.77 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.698 0.799 . . . . 75.2 109.435 172.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.1 tptm -87.0 -6.93 58.59 Favored 'General case' 0 CA--C 1.555 1.137 0 CA-C-N 115.106 -0.952 . . . . 44.02 111.317 -179.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.77 -28.14 58.32 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-O 121.105 0.479 . . . . 70.21 110.086 171.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.566 ' HD1' ' H ' ' A' ' 14' ' ' LYS . 1.5 t80 -90.26 148.6 22.8 Favored 'General case' 0 CA--C 1.55 0.98 0 N-CA-C 108.62 -0.882 . . . . 74.03 108.62 176.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 47.0 tptt -144.06 34.3 1.23 Allowed 'General case' 0 N--CA 1.484 1.252 0 CA-C-O 121.723 0.773 . . . . 75.1 109.663 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.566 ' H ' ' HD1' ' A' ' 12' ' ' TYR . 98.9 mttt 59.73 126.1 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.529 1.532 . . . . 73.33 112.923 -174.131 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.59 -2.07 24.32 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 115.124 -0.944 . . . . 71.5 111.517 172.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -69.48 -34.19 73.99 Favored 'General case' 0 C--N 1.352 0.674 0 C-N-CA 124.9 1.28 . . . . 75.45 110.048 171.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.62 104.55 7.18 Favored 'General case' 0 C--O 1.24 0.595 0 CA-C-N 115.608 -0.724 . . . . 74.13 110.213 178.066 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.612 ' HB2' HE21 ' A' ' 20' ' ' GLN . 91.0 mt 67.29 164.66 0.21 Allowed 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 124.983 1.313 . . . . 74.22 111.45 -176.559 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -77.35 76.87 3.89 Favored 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 108.259 -1.015 . . . . 61.12 108.259 172.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.612 HE21 ' HB2' ' A' ' 18' ' ' LEU . 42.5 mt-30 -129.81 31.87 4.66 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 114.701 -1.136 . . . . 44.41 109.291 -176.235 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.77 -21.03 68.95 Favored Glycine 0 C--N 1.354 1.534 0 CA-C-N 115.768 -0.651 . . . . 71.14 112.904 176.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -67.2 -39.83 86.38 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 123.809 0.844 . . . . 63.01 110.791 170.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 59.2 mt -81.83 -2.66 51.73 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.349 0.659 . . . . 64.34 111.625 -174.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.423 ' HB3' ' CZ ' ' A' ' 12' ' ' TYR . 16.5 mtm -141.45 -171.68 3.36 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.444 0.698 . . . . 72.4 111.598 -176.003 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.99 -50.52 3.12 Favored Glycine 0 C--N 1.348 1.229 0 C-N-CA 123.694 0.664 . . . . 61.45 111.732 -171.089 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 65.7 mtp180 -58.83 -43.16 90.62 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.842 1.257 . . . . 72.54 112.294 -176.199 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.518 ' HB3' ' HD2' ' A' ' 12' ' ' TYR . . . -61.84 -46.1 90.93 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 123.459 0.474 . . . . 55.01 111.364 -178.598 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.571 HD23 HD12 ' A' ' 31' ' ' ILE . 21.7 mt -63.67 -34.61 78.25 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.031 0.532 . . . . 70.5 111.825 177.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -62.12 -42.51 99.31 Favored 'General case' 0 CA--C 1.546 0.797 0 O-C-N 123.328 0.392 . . . . 74.31 110.28 174.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.527 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 50.3 m-80 -67.15 -40.44 86.68 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-O 118.797 -0.62 . . . . 73.12 111.549 177.506 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.571 HD12 HD23 ' A' ' 28' ' ' LEU . 64.7 mt -63.14 -37.12 78.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 N-CA-C 109.591 -0.522 . . . . 74.21 109.591 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.52 -48.03 87.97 Favored Glycine 0 C--N 1.347 1.141 0 CA-C-N 114.79 -1.096 . . . . 74.23 112.218 173.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.54 ' O ' ' HG2' ' A' ' 37' ' ' LYS . 97.1 mt -58.53 -43.4 89.2 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 123.157 0.583 . . . . 74.13 110.506 177.084 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.527 ' HG2' ' O ' ' A' ' 30' ' ' ASN . 7.8 mm-40 -64.37 -37.93 89.26 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 124.209 1.004 . . . . 72.42 111.988 -176.691 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.462 ' HA ' ' HE2' ' A' ' 38' ' ' MET . 33.7 mmtp -68.36 -42.27 79.42 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 116.026 -0.533 . . . . 72.4 110.005 173.74 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -64.7 -28.55 69.67 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.886 0.874 . . . . 55.33 110.69 -179.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.54 ' HG2' ' O ' ' A' ' 33' ' ' LEU . 74.5 mmtt -62.74 -41.49 99.21 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.48 0.712 . . . . 73.41 110.598 175.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.462 ' HE2' ' HA ' ' A' ' 35' ' ' LYS . 36.4 mtm -87.11 -2.27 58.5 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 115.154 -0.93 . . . . 64.45 111.225 -177.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 96.55 -6.78 65.49 Favored Glycine 0 C--N 1.348 1.207 0 CA-C-O 119.448 -0.64 . . . . 34.13 113.68 177.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -75.57 77.73 2.58 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-O 121.886 0.85 . . . . 73.33 110.432 177.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.432 ' O ' ' HB1' ' A' ' 74' ' ' ALA . . . -86.35 -23.86 26.05 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 114.568 -1.196 . . . . 61.23 112.584 -170.206 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -73.94 -39.96 63.42 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 109.563 -0.532 . . . . 60.54 109.563 176.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -66.17 -42.37 89.03 Favored 'General case' 0 C--N 1.353 0.739 0 O-C-N 123.898 0.749 . . . . 64.21 109.618 171.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.63 -54.3 39.55 Favored 'General case' 0 C--N 1.349 0.577 0 O-C-N 124.085 0.866 . . . . 61.1 110.904 179.007 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.46 ' HB1' HD23 ' A' ' 71' ' ' LEU . . . -57.69 -36.55 72.11 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 124.378 1.049 . . . . 61.11 111.587 179.083 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -66.97 -39.45 87.22 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.971 0.909 . . . . 74.12 110.572 -178.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.44 ' HE2' ' HG3' ' A' ' 35' ' ' LYS . 63.1 m-85 -71.93 -36.13 69.83 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.243 0.617 . . . . 71.22 111.663 175.23 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -66.83 -29.77 69.78 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.129 0.571 . . . . 54.32 110.849 178.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -70.13 -47.72 60.51 Favored 'General case' 0 C--N 1.343 0.31 0 O-C-N 124.11 0.882 . . . . 74.42 110.54 177.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.445 ' CB ' HD13 ' A' ' 28' ' ' LEU . 72.6 mtt180 -56.24 -46.86 79.42 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 124.161 0.913 . . . . 74.22 109.949 176.418 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.07 -44.93 95.61 Favored 'General case' 0 C--N 1.348 0.519 0 CA-C-N 114.366 -1.288 . . . . 73.12 110.549 179.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.28 -31.87 73.24 Favored 'General case' 0 N--CA 1.485 1.304 0 O-C-N 123.957 0.786 . . . . 73.01 111.913 -176.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 94.6 mt -61.68 -50.44 80.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 123.554 0.742 . . . . 73.1 109.698 173.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 51.7 t -67.88 -41.88 85.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 O-C-N 123.853 0.72 . . . . 73.01 110.987 -175.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -63.33 -47.68 81.18 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.469 0.708 . . . . 64.45 111.379 179.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.402 ' CD1' ' HB3' ' A' ' 97' ' ' TRP . 64.8 t80 -64.42 -45.5 87.29 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 123.43 0.456 . . . . 74.23 111.518 178.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 45.5 tptt -55.63 -39.47 70.87 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.55 1.14 . . . . 73.43 111.009 178.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -88.45 -9.71 51.6 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-N 115.407 -0.815 . . . . 73.43 111.165 177.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 64.4 m-70 65.44 31.91 9.95 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 125.162 1.385 . . . . 54.31 112.068 177.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -79.98 102.57 9.32 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 108.75 -0.833 . . . . 64.34 108.75 169.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 18.8 p -69.84 -25.46 63.76 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.555 0.742 . . . . 63.51 112.466 -178.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -64.79 -59.1 4.6 Favored 'General case' 0 N--CA 1.477 0.878 0 O-C-N 123.8 0.688 . . . . 65.0 109.738 -179.173 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -71.23 -31.49 66.21 Favored Glycine 0 C--N 1.342 0.861 0 CA-C-N 114.726 -1.125 . . . . 63.11 113.459 -176.07 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 65.7 tp -67.9 -42.2 81.54 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 122.927 0.491 . . . . 74.24 110.684 176.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -61.11 -44.66 97.01 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 124.028 0.931 . . . . 70.52 110.568 177.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 58.9 mtp180 -66.33 -49.77 65.83 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 114.803 -1.089 . . . . 65.4 110.632 179.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.474 ' O ' ' HB2' ' A' ' 71' ' ' LEU . . . -66.92 -31.22 71.67 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.227 0.611 . . . . 74.31 111.953 -175.419 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.469 ' HA ' ' HB1' ' A' ' 94' ' ' ALA . . . -63.91 -46.34 85.27 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.393 0.677 . . . . 62.3 111.05 176.578 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -72.95 -38.43 66.78 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 114.879 -1.055 . . . . 53.02 111.406 179.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 50.2 m -68.61 -33.29 73.79 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 123.767 0.667 . . . . 51.42 110.414 -179.021 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.474 ' HB2' ' O ' ' A' ' 67' ' ' ALA . 0.9 OUTLIER -62.81 -53.16 58.59 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.717 0.807 . . . . 74.34 109.52 179.395 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.22 -37.69 72.02 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-N 115.353 -0.84 . . . . 54.31 112.409 -173.171 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -68.67 -29.2 67.62 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 122.675 0.39 . . . . 64.02 110.412 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.432 ' HB1' ' O ' ' A' ' 41' ' ' ALA . . . -71.26 -34.71 70.96 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 115.561 -0.745 . . . . 54.21 110.745 175.672 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.816 HD13 ' HA ' ' A' ' 88' ' ' LYS . 59.9 mt -71.63 -38.93 68.8 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.254 0 C-N-CA 123.365 0.666 . . . . 63.55 111.76 179.618 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 39.4 p -71.01 -12.9 61.79 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 116.419 -0.355 . . . . 75.21 111.02 173.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -94.82 -15.67 23.57 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 123.852 0.861 . . . . 71.53 111.867 177.03 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 56.0 mt -65.57 130.87 94.7 Favored Pre-proline 0 N--CA 1.49 1.55 0 N-CA-C 108.953 -0.758 . . . . 63.2 108.953 175.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -66.5 -179.01 1.36 Allowed 'Trans proline' 0 C--N 1.376 1.993 0 C-N-CA 122.735 2.29 . . . . 61.31 112.278 178.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -62.43 165.39 6.17 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 122.811 0.444 . . . . 64.44 112.149 -175.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.4 tm-20 74.36 -70.05 0.17 Allowed 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 125.188 1.395 . . . . 63.42 109.337 -178.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -73.84 157.59 36.09 Favored 'General case' 0 CA--C 1.55 0.958 0 CA-C-O 121.179 0.514 . . . . 64.43 110.792 179.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 81.59 -168.68 50.01 Favored Glycine 0 C--N 1.348 1.244 0 N-CA-C 110.661 -0.976 . . . . 40.35 110.661 -170.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? 73.48 -51.46 0.7 Allowed 'General case' 0 N--CA 1.499 1.984 0 C-N-CA 124.764 1.226 . . . . 74.31 109.695 178.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -99.24 -161.16 0.85 Allowed 'General case' 0 CA--C 1.558 1.263 0 N-CA-C 108.466 -0.938 . . . . 73.41 108.466 155.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 60.18 -94.41 0.05 OUTLIER 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 123.999 0.92 . . . . 72.44 111.425 172.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -75.8 -29.05 58.59 Favored 'General case' 0 C--N 1.35 0.59 0 C-N-CA 123.305 0.642 . . . . 51.41 111.375 -173.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.816 ' HA ' HD13 ' A' ' 75' ' ' ILE . 13.8 tmtt? -65.29 -33.63 76.44 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.882 0.873 . . . . 60.1 111.342 -173.669 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -59.37 -31.79 69.53 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.838 0.855 . . . . 75.52 111.868 -178.509 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 40.7 mtm -72.84 -31.26 64.64 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.93 1.292 . . . . 71.32 111.824 -176.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.46 ' O ' ' HG2' ' A' ' 95' ' ' GLU . . . -53.92 -47.17 71.47 Favored 'General case' 0 N--CA 1.481 1.097 0 O-C-N 123.871 0.732 . . . . 73.44 110.802 177.06 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.437 ' O ' ' HG2' ' A' ' 96' ' ' GLU . 62.1 tttp -57.98 -42.72 85.69 Favored 'General case' 0 C--N 1.361 1.076 0 O-C-N 124.443 1.089 . . . . 72.31 111.027 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -58.96 -46.71 87.39 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 124.064 0.853 . . . . 75.31 110.988 -177.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.469 ' HB1' ' HA ' ' A' ' 68' ' ' ALA . . . -63.42 -35.39 80.25 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.7 0.8 . . . . 63.33 111.619 -179.484 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.466 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 10.8 mm-40 -66.21 -47.73 72.9 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.487 0.715 . . . . 64.24 111.002 175.006 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 92' ' ' LYS . 68.0 mm-40 -56.23 -45.65 79.87 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.598 0.759 . . . . 70.44 110.986 -179.398 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . 0.402 ' HB3' ' CD1' ' A' ' 56' ' ' TYR . 44.5 m0 -68.62 -38.78 80.83 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 114.888 -1.051 . . . . 74.25 110.98 -178.114 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 30.2 tp -68.41 -34.08 75.36 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 115.783 -0.644 . . . . 71.34 111.271 -179.009 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.466 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 82.6 mm-40 -72.66 -32.04 65.53 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 122.738 0.415 . . . . 72.32 110.37 178.13 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.35 -30.91 71.96 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.429 0.692 . . . . 73.32 111.169 177.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -85.85 -52.58 5.65 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.747 0.819 . . . . 72.11 111.193 177.135 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -86.65 85.08 7.28 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.877 0.871 . . . . 74.13 110.164 -176.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -90.23 117.62 29.12 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.793 0.837 . . . . 73.53 110.096 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 19.9 m120 . . . . . 0 CA--C 1.55 0.951 0 C-N-CA 124.24 1.016 . . . . 62.24 108.458 179.541 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 121.034 0.445 . . . . 71.15 110.695 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -137.51 33.41 2.5 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.117 0.967 . . . . 72.44 110.341 -168.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -63.83 -56.42 15.53 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.223 1.009 . . . . 75.12 109.277 178.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -73.61 -30.79 63.2 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.337 0.655 . . . . 75.1 110.813 -178.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 64.4 mt -64.93 -34.63 71.78 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 C-N-CA 123.585 0.754 . . . . 71.53 110.503 178.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.53 -32.23 62.75 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 124.188 0.995 . . . . 51.03 111.867 178.131 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -64.99 -52.27 57.09 Favored 'General case' 0 C--N 1.354 0.762 0 O-C-N 123.943 0.777 . . . . 72.35 109.712 175.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -68.81 -33.52 73.98 Favored 'General case' 0 N--CA 1.479 0.993 0 O-C-N 124.391 1.057 . . . . 74.23 111.821 -172.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -61.48 -48.42 81.21 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.336 0.654 . . . . 43.53 110.834 179.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 36.2 mtmm -87.5 -14.94 38.98 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 122.943 0.497 . . . . 75.13 111.79 -179.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.06 -32.72 72.4 Favored 'General case' 0 N--CA 1.483 1.225 0 N-CA-C 109.417 -0.586 . . . . 71.04 109.417 171.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.632 ' HA ' ' HG2' ' A' ' 24' ' ' MET . 2.0 t80 -76.95 94.75 4.0 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 107.668 -1.234 . . . . 75.23 107.668 170.326 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -72.58 -85.77 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 123.006 0.523 . . . . 75.31 110.86 -175.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.647 ' HD3' ' HB3' ' A' ' 17' ' ' GLU . 4.8 ttmp? -157.01 91.25 1.18 Allowed 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.034 0.534 . . . . 71.2 110.102 -175.701 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -98.49 -0.58 43.1 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.724 0.81 . . . . 75.45 110.54 174.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -88.88 -49.06 7.03 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.868 0.867 . . . . 74.34 111.4 -175.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.647 ' HB3' ' HD3' ' A' ' 14' ' ' LYS . 39.0 tt0 -100.96 -32.62 10.55 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.316 0.646 . . . . 60.02 110.423 -177.335 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.472 ' HB3' ' HG3' ' A' ' 20' ' ' GLN . 95.7 mt -104.45 134.6 47.37 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 108.952 -0.758 . . . . 75.04 108.952 174.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 56.2 m-20 -87.23 59.43 5.56 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 109.002 -0.74 . . . . 74.21 109.002 176.113 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.492 ' HB3' HD12 ' A' ' 23' ' ' LEU . 96.4 mt-30 -100.49 34.87 2.27 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.03 0.932 . . . . 74.41 109.698 178.109 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.12 170.11 7.17 Favored Glycine 0 C--N 1.352 1.46 0 CA-C-O 119.548 -0.584 . . . . 73.51 113.005 -178.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 78.61 -41.64 0.3 Allowed 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 125.233 1.413 . . . . 62.01 110.464 -170.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.492 HD12 ' HB3' ' A' ' 20' ' ' GLN . 96.2 mt -60.39 -30.85 69.85 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 123.373 0.669 . . . . 65.43 110.195 166.455 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.632 ' HG2' ' HA ' ' A' ' 12' ' ' TYR . 28.9 mtm -126.73 178.75 5.73 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.385 1.074 . . . . 74.55 110.869 -176.639 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.97 -47.71 1.28 Allowed Glycine 0 C--N 1.346 1.096 0 N-CA-C 110.314 -1.115 . . . . 75.3 110.314 -171.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.2 ttt180 -54.85 -47.04 74.68 Favored 'General case' 0 C--N 1.354 0.761 0 C-N-CA 124.336 1.054 . . . . 73.24 110.775 174.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.406 ' O ' HG13 ' A' ' 31' ' ' ILE . . . -57.38 -39.81 76.83 Favored 'General case' 0 C--N 1.35 0.593 0 O-C-N 124.058 0.849 . . . . 74.31 112.601 -175.097 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.499 ' HG ' ' CE2' ' A' ' 12' ' ' TYR . 59.2 mt -65.44 -45.66 82.98 Favored 'General case' 0 N--CA 1.484 1.264 0 O-C-N 123.179 0.299 . . . . 72.23 110.529 176.621 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -57.36 -40.08 77.32 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.063 0.945 . . . . 61.31 111.078 177.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -73.48 -36.31 65.79 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.268 1.027 . . . . 70.41 111.331 -175.746 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.406 HG13 ' O ' ' A' ' 27' ' ' ALA . 90.3 mt -63.76 -44.28 98.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 N-CA-C 109.052 -0.721 . . . . 61.32 109.052 171.401 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.04 -36.43 93.45 Favored Glycine 0 C--N 1.352 1.441 0 O-C-N 124.431 1.082 . . . . 34.23 113.246 -177.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 85.5 mt -59.34 -40.51 86.58 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.072 0.549 . . . . 54.44 110.015 175.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.43 ' HA ' ' HB3' ' A' ' 37' ' ' LYS . 43.6 mm-40 -76.37 -29.16 57.05 Favored 'General case' 0 C--N 1.348 0.51 0 O-C-N 123.979 0.799 . . . . 63.15 111.947 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -66.55 -49.43 66.46 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 109.605 -0.517 . . . . 71.15 109.605 175.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -64.1 -32.52 74.11 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 123.878 0.871 . . . . 70.34 110.448 179.071 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.43 ' HB3' ' HA ' ' A' ' 34' ' ' GLU . 1.6 tmtp? -66.19 -38.65 88.53 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 124.83 1.252 . . . . 74.02 110.838 173.721 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 69.7 mtm -86.54 1.33 52.0 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 123.406 0.682 . . . . 74.41 111.656 178.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.96 0.38 89.67 Favored Glycine 0 C--N 1.347 1.194 0 N-CA-C 113.758 0.263 . . . . 74.13 113.758 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -82.49 55.34 2.9 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.923 1.289 . . . . 73.32 109.599 176.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.92 -27.52 65.83 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.535 1.134 . . . . 54.34 111.885 -171.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.67 -51.46 63.1 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 124.574 1.15 . . . . 65.21 110.798 172.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -79.99 -29.26 39.48 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 116.335 -0.393 . . . . 74.12 111.571 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.18 -53.63 55.95 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 124.094 0.871 . . . . 52.32 110.916 178.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.41 -35.14 73.43 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 124.742 1.276 . . . . 72.2 111.27 -179.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -68.16 -41.02 82.18 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 124.079 0.951 . . . . 51.12 109.817 -179.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.454 ' HD1' HD22 ' A' ' 28' ' ' LEU . 40.0 m-85 -66.83 -36.71 82.98 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.407 0.683 . . . . 73.11 111.16 175.676 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.456 ' HB2' ' HG ' ' A' ' 71' ' ' LEU . 23.5 m-85 -68.88 -32.41 72.05 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.22 0.608 . . . . 72.3 110.515 178.287 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -68.81 -51.4 41.24 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 123.741 0.651 . . . . 74.42 110.646 178.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 35.0 mtp180 -66.79 -33.07 74.81 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 123.978 0.799 . . . . 75.35 111.417 -179.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.21 -48.27 80.77 Favored 'General case' 0 C--N 1.35 0.597 0 O-C-N 123.711 0.632 . . . . 72.11 109.322 172.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.16 -34.63 73.83 Favored 'General case' 0 C--N 1.357 0.921 0 O-C-N 124.41 1.068 . . . . 53.03 111.515 -179.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 83.8 mt -57.5 -52.77 52.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 O-C-N 124.0 0.813 . . . . 63.33 110.111 174.318 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.445 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 41.0 t -64.09 -44.44 97.68 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 123.095 0.558 . . . . 62.03 110.764 -176.593 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -65.22 -29.97 70.81 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.172 0.589 . . . . 72.3 111.622 178.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 44.6 t80 -72.16 -42.58 65.76 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.208 0.603 . . . . 74.41 110.279 176.184 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -56.8 -37.06 70.63 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.974 0.91 . . . . 74.23 111.393 171.422 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' A' ' 54' ' ' VAL . 24.4 mm-40 -85.75 -11.78 52.72 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 115.969 -0.56 . . . . 71.01 111.652 179.068 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 60.19 28.18 17.74 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.926 1.29 . . . . 71.41 111.421 -177.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -81.88 94.35 7.07 Favored 'General case' 0 C--O 1.242 0.7 0 C-N-CA 125.75 1.62 . . . . 74.2 108.593 176.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 24.3 p -64.25 -25.76 68.2 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.838 0.855 . . . . 51.14 112.379 -177.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -59.76 -59.19 5.84 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 122.808 0.443 . . . . 75.13 110.896 176.234 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -75.3 -37.17 42.75 Favored Glycine 0 C--N 1.335 0.478 0 CA-C-N 115.066 -0.97 . . . . 74.43 113.408 -172.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 53.4 tp -61.72 -49.18 77.48 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.288 0.635 . . . . 75.01 110.329 178.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.416 ' O ' ' HG3' ' A' ' 69' ' ' LYS . 37.4 ttt180 -63.33 -46.36 86.97 Favored 'General case' 0 C--N 1.353 0.725 0 O-C-N 124.239 0.962 . . . . 54.42 110.12 179.635 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -65.53 -34.33 78.01 Favored 'General case' 0 CA--C 1.543 0.697 0 O-C-N 124.168 0.918 . . . . 74.31 111.005 -176.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.486 ' O ' ' HB2' ' A' ' 71' ' ' LEU . . . -71.76 -36.53 70.42 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.237 0.615 . . . . 72.34 110.283 178.204 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.08 -41.76 85.8 Favored 'General case' 0 N--CA 1.483 1.194 0 O-C-N 124.124 0.89 . . . . 75.24 110.995 175.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' A' ' 65' ' ' ARG . 29.5 mtpp -60.63 -48.25 82.6 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.326 1.05 . . . . 75.22 110.811 176.358 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.7 t -71.52 -30.01 65.44 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.493 0.717 . . . . 42.33 110.368 -177.254 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.486 ' HB2' ' O ' ' A' ' 67' ' ' ALA . 0.5 OUTLIER -62.26 -54.49 40.05 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 124.345 1.058 . . . . 71.21 110.069 -177.884 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.525 ' HA ' HD12 ' A' ' 75' ' ' ILE . 21.8 pttp -64.02 -30.82 71.86 Favored 'General case' 0 N--CA 1.481 1.096 0 O-C-N 123.866 0.729 . . . . 73.02 111.569 -176.458 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -72.81 -36.24 67.51 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.753 0.821 . . . . 75.25 110.391 178.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.456 ' O ' HG13 ' A' ' 78' ' ' ILE . . . -67.23 -37.57 83.8 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.872 -0.604 . . . . 73.34 110.2 174.288 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.873 HD13 ' HA ' ' A' ' 88' ' ' LYS . 65.4 mt -66.31 -41.21 88.6 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 C-N-CA 123.497 0.719 . . . . 71.15 111.665 -177.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 50.7 p -62.26 -25.3 67.76 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 123.52 0.513 . . . . 64.13 110.793 174.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.89 -19.9 22.83 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.898 0.879 . . . . 71.31 112.439 178.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.457 HG21 ' H ' ' A' ' 84' ' ' ARG . 66.7 mt -64.89 118.94 53.84 Favored Pre-proline 0 N--CA 1.49 1.568 0 CA-C-N 118.452 0.569 . . . . 71.23 110.055 -179.596 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -53.22 120.27 7.46 Favored 'Trans proline' 0 C--N 1.378 2.118 0 C-N-CA 123.04 2.493 . . . . 54.4 111.12 167.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -67.74 84.91 0.2 Allowed 'General case' 0 C--O 1.248 0.993 0 C-N-CA 124.036 0.934 . . . . 73.52 110.328 -176.294 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -176.55 -51.53 0.01 OUTLIER 'General case' 0 C--O 1.237 0.445 0 CA-C-N 114.482 -1.236 . . . . 62.41 108.643 -174.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -73.28 -51.87 16.03 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 114.945 -1.025 . . . . 74.33 111.248 -176.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -143.52 -89.43 0.11 Allowed Glycine 0 C--N 1.34 0.76 0 N-CA-C 111.113 -0.795 . . . . 61.51 111.113 -177.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.457 ' H ' HG21 ' A' ' 78' ' ' ILE . 12.8 tpt180 60.42 -78.42 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 125.334 1.454 . . . . 64.13 112.434 172.396 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -65.73 -56.9 9.58 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.438 1.095 . . . . 70.44 110.958 -177.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -60.94 -37.39 82.18 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.312 0.645 . . . . 73.2 110.491 177.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -75.16 -25.41 58.32 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 114.865 -1.061 . . . . 42.12 111.795 -176.187 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.873 ' HA ' HD13 ' A' ' 75' ' ' ILE . 57.0 tttp -65.08 -34.24 77.95 Favored 'General case' 0 C--N 1.351 0.674 0 C-N-CA 123.634 0.773 . . . . 73.22 111.134 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.494 ' HA ' ' HD3' ' A' ' 92' ' ' LYS . 78.4 mm-40 -59.24 -28.62 66.86 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.447 1.099 . . . . 75.35 112.103 178.161 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 54.3 mtm -68.98 -39.64 79.29 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.195 0.598 . . . . 74.33 111.511 -178.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.27 -39.6 95.05 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.019 0.527 . . . . 53.0 110.067 174.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.494 ' HD3' ' HA ' ' A' ' 89' ' ' GLU . 55.8 mtpt -64.83 -40.25 94.88 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 114.679 -1.146 . . . . 64.42 110.713 177.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 34.2 mmtm -62.62 -46.98 85.78 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.541 0.736 . . . . 73.35 110.667 178.106 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.83 -31.46 72.1 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 124.254 0.971 . . . . 75.24 111.635 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.407 ' O ' ' HG3' ' A' ' 99' ' ' GLN . 3.0 tm-20 -75.54 -33.72 60.71 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.136 0.974 . . . . 63.31 110.05 177.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -65.42 -42.64 92.29 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.433 0.693 . . . . 75.23 110.353 175.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 34.9 m0 -65.83 -37.35 85.99 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 115.663 -0.698 . . . . 73.21 110.428 177.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.486 ' O ' ' HG2' ' A' ' 102' ' ' GLN . 51.7 tp -58.65 -43.76 89.89 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 124.198 0.936 . . . . 72.14 110.659 177.714 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.407 ' HG3' ' O ' ' A' ' 95' ' ' GLU . 71.1 mt-30 -60.71 -46.03 91.95 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.693 0.797 . . . . 73.22 110.561 176.099 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.62 -28.58 69.47 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.039 0.936 . . . . 74.21 111.92 -179.108 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -84.69 -11.34 56.07 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.7 0.8 . . . . 72.2 112.802 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.486 ' HG2' ' O ' ' A' ' 98' ' ' LEU . 76.2 mm-40 -83.3 114.51 21.45 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 109.447 -0.575 . . . . 71.12 109.447 177.272 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 27.6 p30 -72.8 -29.3 63.15 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.618 0.767 . . . . 71.11 110.778 176.004 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 . . . . . 0 CA--C 1.557 1.224 0 C-N-CA 123.746 0.818 . . . . 72.43 110.602 175.756 . . . . . . . . 0 0 . 1 stop_ save_